N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide

C29H32N4O2 — CID 58610304

IUPACN-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1
InChIInChI=1S/C29H32N4O2/c34-28(20-33-16-14-24(19-33)31-29(35)23-9-2-1-3-10-23)32-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21/h1-11,15,18,24,26-27H,12-14,16-17,19-20H2,(H,31,35)(H,32,34)/t24?,26-,27+/m0/s1
InChIKeyGKGCAGDVHZPMRC-CUBVPSHMSA-N
MW468.60 g/mol
LogP3.34
Rot. Bonds7

About N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide

N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 58610304) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide
PubChem CID58610304
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1
InChIInChI=1S/C29H32N4O2/c34-28(20-33-16-14-24(19-33)31-29(35)23-9-2-1-3-10-23)32-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21/h1-11,15,18,24,26-27H,12-14,16-17,19-20H2,(H,31,35)(H,32,34)/t24?,26-,27+/m0/s1
InChIKeyGKGCAGDVHZPMRC-CUBVPSHMSA-N
XLogP3.34
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide with MolForge

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Related Compounds

tert-butyl N-[1-[2-[[(1R,2S)-6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]carbamate
CID 102006474
N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide
CID 18735112
6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene
CID 142042705
N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride
CID 18735040
1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride
CID 22037055
N-[(1R)-6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 142042734
N-[2-[[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 91839912
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 134802964
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide (CID 58610304) is N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide is O=C(CN1CCC(NC(=O)c2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.
What is the InChIKey of N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is GKGCAGDVHZPMRC-CUBVPSHMSA-N. The full InChI is InChI=1S/C29H32N4O2/c34-28(20-33-16-14-24(19-33)31-29(35)23-9-2-1-3-10-23)32-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21/h1-11,15,18,24,26-27H,12-14,16-17,19-20H2,(H,31,35)(H,32,34)/t24?,26-,27+/m0/s1.
What are the key properties of N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide?
N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 58610304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).