(1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C100H104N16O8 — CID 162111349

IUPAC(1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESN[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.N[C@@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.N[C@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.N[C@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/4C25H26N4O2/c4*26-23(16-28-25(31)22-7-3-5-17-4-1-2-6-21(17)22)18-8-10-19(11-9-18)24(30)29-20-12-14-27-15-13-20/h4*1-2,4,6,8-15,22-23H,3,5,7,16,26H2,(H,28,31)(H,27,29,30)/t2*22-,23+;2*22-,23-/m1010/s1
InChIKeyZGERPTINSWGHOE-LCJRUMCOSA-N
MW1658.04 g/mol
LogP14.28
Rot. Bonds24

About (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 162111349) has the molecular formula C100H104N16O8 and a molecular weight of 1658.04 g/mol. Its IUPAC name is (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID162111349
Molecular FormulaC100H104N16O8
Molecular Weight1658.04 g/mol
Exact Mass1656.82
IUPAC Name(1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESN[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.N[C@@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.N[C@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.N[C@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/4C25H26N4O2/c4*26-23(16-28-25(31)22-7-3-5-17-4-1-2-6-21(17)22)18-8-10-19(11-9-18)24(30)29-20-12-14-27-15-13-20/h4*1-2,4,6,8-15,22-23H,3,5,7,16,26H2,(H,28,31)(H,27,29,30)/t2*22-,23+;2*22-,23-/m1010/s1
InChIKeyZGERPTINSWGHOE-LCJRUMCOSA-N
XLogP14.28
TPSA388.44 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001658.04
LogP ≤ 514.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 71220625
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-N-methyl-3,4-dihydro-2H-thiochromene-4-carboxamide
CID 15983522
4-[(S)-amino-[1-(2,3-dihydro-1H-inden-1-ylmethyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 71220544
4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67549543
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 162111349) is (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is N[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.N[C@@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.N[C@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.N[C@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ZGERPTINSWGHOE-LCJRUMCOSA-N. The full InChI is InChI=1S/4C25H26N4O2/c4*26-23(16-28-25(31)22-7-3-5-17-4-1-2-6-21(17)22)18-8-10-19(11-9-18)24(30)29-20-12-14-27-15-13-20/h4*1-2,4,6,8-15,22-23H,3,5,7,16,26H2,(H,28,31)(H,27,29,30)/t2*22-,23+;2*22-,23-/m1010/s1.
What are the key properties of (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 1658.04 g/mol, XLogP of 14.28, 24 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 162111349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).