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

C28H28N4O2 — CID 10026881

IUPACN-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(-c3cc4cc(NC(=O)c5ccccn5)ccc4[nH]3)cc2)CC1
InChIInChI=1S/C28H28N4O2/c1-18-5-7-20(8-6-18)27(33)30-22-11-9-19(10-12-22)26-17-21-16-23(13-14-24(21)32-26)31-28(34)25-4-2-3-15-29-25/h2-4,9-18,20,32H,5-8H2,1H3,(H,30,33)(H,31,34)
InChIKeyRHXBMKJDFLUILR-UHFFFAOYSA-N
MW452.56 g/mol
LogP6.25
Rot. Bonds5

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

N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide (PubChem CID 10026881) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
PubChem CID10026881
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(-c3cc4cc(NC(=O)c5ccccn5)ccc4[nH]3)cc2)CC1
InChIInChI=1S/C28H28N4O2/c1-18-5-7-20(8-6-18)27(33)30-22-11-9-19(10-12-22)26-17-21-16-23(13-14-24(21)32-26)31-28(34)25-4-2-3-15-29-25/h2-4,9-18,20,32H,5-8H2,1H3,(H,30,33)(H,31,34)
InChIKeyRHXBMKJDFLUILR-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-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974
2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-N-pyridin-3-yl-1H-indole-5-carboxamide
CID 10366612
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 160684453
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide
CID 59715215
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide
CID 59715091
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide
CID 26324558
N-[4-[5-(cycloheptanecarbonylamino)-1H-indol-2-yl]phenyl]adamantane-1-carboxamide
CID 10413966
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
CID 71094972

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide (CID 10026881) is N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide is CC1CCC(C(=O)Nc2ccc(-c3cc4cc(NC(=O)c5ccccn5)ccc4[nH]3)cc2)CC1.
What is the InChIKey of N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
The InChIKey is RHXBMKJDFLUILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-18-5-7-20(8-6-18)27(33)30-22-11-9-19(10-12-22)26-17-21-16-23(13-14-24(21)32-26)31-28(34)25-4-2-3-15-29-25/h2-4,9-18,20,32H,5-8H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-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-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 10026881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).