N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide

C30H29N5O4 — CID 58845376

IUPACN-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCN(C(=O)C2CC2)C[C@H]1NC(=O)c1ccc2cc[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C30H29N5O4/c36-27-3-1-2-15-35(27)23-10-8-20(9-11-23)28(37)32-24-13-16-34(30(39)21-5-6-21)18-26(24)33-29(38)22-7-4-19-12-14-31-25(19)17-22/h1-4,7-12,14-15,17,21,24,26,31H,5-6,13,16,18H2,(H,32,37)(H,33,38)/t24-,26+/m0/s1
InChIKeyTZJXKDKIXIZVGY-AZGAKELHSA-N
MW523.59 g/mol
LogP2.86
Rot. Bonds6

About N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide

N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide (PubChem CID 58845376) has the molecular formula C30H29N5O4 and a molecular weight of 523.59 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
PubChem CID58845376
Molecular FormulaC30H29N5O4
Molecular Weight523.59 g/mol
Exact Mass523.22
IUPAC NameN-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCN(C(=O)C2CC2)C[C@H]1NC(=O)c1ccc2cc[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C30H29N5O4/c36-27-3-1-2-15-35(27)23-10-8-20(9-11-23)28(37)32-24-13-16-34(30(39)21-5-6-21)18-26(24)33-29(38)22-7-4-19-12-14-31-25(19)17-22/h1-4,7-12,14-15,17,21,24,26,31H,5-6,13,16,18H2,(H,32,37)(H,33,38)/t24-,26+/m0/s1
InChIKeyTZJXKDKIXIZVGY-AZGAKELHSA-N
XLogP2.86
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide (CID 58845376) is N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide is O=C(N[C@H]1CCN(C(=O)C2CC2)C[C@H]1NC(=O)c1ccc2cc[nH]c2c1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide?
The InChIKey is TZJXKDKIXIZVGY-AZGAKELHSA-N. The full InChI is InChI=1S/C30H29N5O4/c36-27-3-1-2-15-35(27)23-10-8-20(9-11-23)28(37)32-24-13-16-34(30(39)21-5-6-21)18-26(24)33-29(38)22-7-4-19-12-14-31-25(19)17-22/h1-4,7-12,14-15,17,21,24,26,31H,5-6,13,16,18H2,(H,32,37)(H,33,38)/t24-,26+/m0/s1.
What are the key properties of N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide?
N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide has a molecular weight of 523.59 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 58845376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).