N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide

C28H28N4O2 — CID 59715091

IUPACN-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide
SMILESCC1CCCCC1C(=O)Nc1ccc(-c2cc3cc(NC(=O)c4cccnc4)ccc3[nH]2)cc1
InChIInChI=1S/C28H28N4O2/c1-18-5-2-3-7-24(18)28(34)30-22-10-8-19(9-11-22)26-16-21-15-23(12-13-25(21)32-26)31-27(33)20-6-4-14-29-17-20/h4,6,8-18,24,32H,2-3,5,7H2,1H3,(H,30,34)(H,31,33)
InChIKeyUMPMKDIRSBKJCS-UHFFFAOYSA-N
MW452.56 g/mol
LogP6.25
Rot. Bonds5

About N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide

N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide (PubChem CID 59715091) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide
PubChem CID59715091
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide
SMILESCC1CCCCC1C(=O)Nc1ccc(-c2cc3cc(NC(=O)c4cccnc4)ccc3[nH]2)cc1
InChIInChI=1S/C28H28N4O2/c1-18-5-2-3-7-24(18)28(34)30-22-10-8-19(9-11-22)26-16-21-15-23(12-13-25(21)32-26)31-27(33)20-6-4-14-29-17-20/h4,6,8-18,24,32H,2-3,5,7H2,1H3,(H,30,34)(H,31,33)
InChIKeyUMPMKDIRSBKJCS-UHFFFAOYSA-N
XLogP6.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10049533
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-N-pyridin-3-yl-1H-indole-5-carboxamide
CID 10366612
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
CID 71094972
N-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974
N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10026881
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide
CID 59715215
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841
(2S)-1-(2-phenylethyl)-N-[4-[5-[[(2S)-1-(2-phenylethyl)pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 72722491
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
CID 10389580

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide (CID 59715091) is N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide is CC1CCCCC1C(=O)Nc1ccc(-c2cc3cc(NC(=O)c4cccnc4)ccc3[nH]2)cc1.
What is the InChIKey of N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide?
The InChIKey is UMPMKDIRSBKJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-18-5-2-3-7-24(18)28(34)30-22-10-8-19(9-11-22)26-16-21-15-23(12-13-25(21)32-26)31-27(33)20-6-4-14-29-17-20/h4,6,8-18,24,32H,2-3,5,7H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide?
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 6.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59715091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).