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

C25H26N4O2 — CID 71220625

IUPACN-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESN[C@@H](CNC(=O)C1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C25H26N4O2/c26-23(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/h1-2,4,6,8-15,22-23H,3,5,7,16,26H2,(H,28,31)(H,27,29,30)/t22?,23-/m0/s1
InChIKeyNTEOYQCIOKVZNN-WCSIJFPASA-N
MW414.51 g/mol
LogP3.57
Rot. Bonds6

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

N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 71220625) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID71220625
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESN[C@@H](CNC(=O)C1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C25H26N4O2/c26-23(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/h1-2,4,6,8-15,22-23H,3,5,7,16,26H2,(H,28,31)(H,27,29,30)/t22?,23-/m0/s1
InChIKeyNTEOYQCIOKVZNN-WCSIJFPASA-N
XLogP3.57
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(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
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 N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 71220625) is N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is N[C@@H](CNC(=O)C1CCCc2ccccc21)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is NTEOYQCIOKVZNN-WCSIJFPASA-N. The full InChI is InChI=1S/C25H26N4O2/c26-23(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/h1-2,4,6,8-15,22-23H,3,5,7,16,26H2,(H,28,31)(H,27,29,30)/t22?,23-/m0/s1.
What are the key properties of N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 71220625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).