N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide

C28H35N5O2 — CID 71104176

IUPACN-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
SMILESCC1CC(NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2C)CC1(N)c1ccccn1
InChIInChI=1S/C28H35N5O2/c1-18-15-20(17-28(18,29)25-13-7-8-14-30-25)31-26(34)21-10-4-5-11-22(21)32-27(35)24-16-19-9-3-6-12-23(19)33(24)2/h3,6-9,12-14,16,18,20-22H,4-5,10-11,15,17,29H2,1-2H3,(H,31,34)(H,32,35)/t18?,20?,21-,22+,28?/m1/s1
InChIKeyRZLKNQULIZYJKX-PNDMDLOOSA-N
MW473.62 g/mol
LogP3.63
Rot. Bonds5

About N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide

N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide (PubChem CID 71104176) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
PubChem CID71104176
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC NameN-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
SMILESCC1CC(NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2C)CC1(N)c1ccccn1
InChIInChI=1S/C28H35N5O2/c1-18-15-20(17-28(18,29)25-13-7-8-14-30-25)31-26(34)21-10-4-5-11-22(21)32-27(35)24-16-19-9-3-6-12-23(19)33(24)2/h3,6-9,12-14,16,18,20-22H,4-5,10-11,15,17,29H2,1-2H3,(H,31,34)(H,32,35)/t18?,20?,21-,22+,28?/m1/s1
InChIKeyRZLKNQULIZYJKX-PNDMDLOOSA-N
XLogP3.63
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 23510298
1-methyl-N-[(1S,2R)-2-[[(3S)-5-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 70320702
N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 58808291
N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 58808394
1-methyl-N-[(1S,2R)-2-[[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808286
N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide
CID 161137068
N-[(1S,2R)-2-[2-(benzenesulfonamido)ethylcarbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 58808296
N-[(1S,2R)-2-[[1-cyano-2-(2-methyl-4-pyridinyl)ethyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 20740215
N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 23510236
N-[(1S,2R)-2-[(1-hydroxyimino-4-methylpentan-2-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 87733242
N-[(1S,2R)-2-[(3-hydrazinylidene-6-methyl-2-oxoheptan-4-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 140525731
N-[(1S,2R)-2-[(1-cyano-2-piperidin-4-ylethyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;hydrochloride
CID 86591896

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide (CID 71104176) is N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide is CC1CC(NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2C)CC1(N)c1ccccn1.
What is the InChIKey of N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide?
The InChIKey is RZLKNQULIZYJKX-PNDMDLOOSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-18-15-20(17-28(18,29)25-13-7-8-14-30-25)31-26(34)21-10-4-5-11-22(21)32-27(35)24-16-19-9-3-6-12-23(19)33(24)2/h3,6-9,12-14,16,18,20-22H,4-5,10-11,15,17,29H2,1-2H3,(H,31,34)(H,32,35)/t18?,20?,21-,22+,28?/m1/s1.
What are the key properties of N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide?
N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 71104176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).