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

C27H25ClN4O3 — CID 11237163

IUPAC3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
InChIKeyPMRPPULYFDNTHJ-XZOQPEGZSA-N
MW488.98 g/mol
LogP4.44
Rot. Bonds5

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

3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide (PubChem CID 11237163) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
PubChem CID11237163
Molecular FormulaC27H25ClN4O3
Molecular Weight488.98 g/mol
Exact Mass488.16
IUPAC Name3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
InChIKeyPMRPPULYFDNTHJ-XZOQPEGZSA-N
XLogP4.44
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide (CID 11237163) is 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide is O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
The InChIKey is PMRPPULYFDNTHJ-XZOQPEGZSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1.
What are the key properties of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide has a molecular weight of 488.98 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 11237163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).