N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide

C28H34N4O2 — CID 58808291

IUPACN-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NC2CCN(Cc3ccccc3)C2)cc2ccccc21
InChIInChI=1S/C28H34N4O2/c1-31-25-14-8-5-11-21(25)17-26(31)28(34)30-24-13-7-6-12-23(24)27(33)29-22-15-16-32(19-22)18-20-9-3-2-4-10-20/h2-5,8-11,14,17,22-24H,6-7,12-13,15-16,18-19H2,1H3,(H,29,33)(H,30,34)/t22?,23-,24+/m1/s1
InChIKeyVQZBPDYJAZNXCZ-XQFMJXHWSA-N
MW458.61 g/mol
LogP3.86
Rot. Bonds6

About N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide

N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide (PubChem CID 58808291) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
PubChem CID58808291
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NC2CCN(Cc3ccccc3)C2)cc2ccccc21
InChIInChI=1S/C28H34N4O2/c1-31-25-14-8-5-11-21(25)17-26(31)28(34)30-24-13-7-6-12-23(24)27(33)29-22-15-16-32(19-22)18-20-9-3-2-4-10-20/h2-5,8-11,14,17,22-24H,6-7,12-13,15-16,18-19H2,1H3,(H,29,33)(H,30,34)/t22?,23-,24+/m1/s1
InChIKeyVQZBPDYJAZNXCZ-XQFMJXHWSA-N
XLogP3.86
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 58808394
N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 23510236
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-[2-(benzenesulfonamido)ethylcarbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 58808296
N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 71104176
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
1-methyl-N-[(1S,2R)-2-[[4-methyl-1-(4-phenylbutylamino)pentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808390
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141
N-[(1S,2R)-2-[[(1S)-1-cyanobutyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;bis(N-[(1S,2R)-2-[(1-cyano-4-hydroxybutyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide)
CID 158118235
N-[(1S,2R)-2-[(3-hydrazinylidene-6-methyl-2-oxoheptan-4-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 140525731
1-methyl-N-[(1S,2R)-2-[[(2S)-4-methyl-1-(2-methylanilino)pentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808353

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide (CID 58808291) is N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NC2CCN(Cc3ccccc3)C2)cc2ccccc21.
What is the InChIKey of N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide?
The InChIKey is VQZBPDYJAZNXCZ-XQFMJXHWSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-31-25-14-8-5-11-21(25)17-26(31)28(34)30-24-13-7-6-12-23(24)27(33)29-22-15-16-32(19-22)18-20-9-3-2-4-10-20/h2-5,8-11,14,17,22-24H,6-7,12-13,15-16,18-19H2,1H3,(H,29,33)(H,30,34)/t22?,23-,24+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide?
N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 58808291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).