N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide

C24H31N3O — CID 125162133

IUPACN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NC[C@H]3CCN(C4CCCCC4)C3)c2)nc1
InChIInChI=1S/C24H31N3O/c1-18-10-11-23(25-15-18)20-6-5-7-21(14-20)24(28)26-16-19-12-13-27(17-19)22-8-3-2-4-9-22/h5-7,10-11,14-15,19,22H,2-4,8-9,12-13,16-17H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyMGPGIQQHNYAXME-LJQANCHMSA-N
MW377.53 g/mol
LogP4.44
Rot. Bonds5

About N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide

N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide (PubChem CID 125162133) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
PubChem CID125162133
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NC[C@H]3CCN(C4CCCCC4)C3)c2)nc1
InChIInChI=1S/C24H31N3O/c1-18-10-11-23(25-15-18)20-6-5-7-21(14-20)24(28)26-16-19-12-13-27(17-19)22-8-3-2-4-9-22/h5-7,10-11,14-15,19,22H,2-4,8-9,12-13,16-17H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyMGPGIQQHNYAXME-LJQANCHMSA-N
XLogP4.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 126427045
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56862503
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 23609402
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 113255193
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
CID 92717372
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide (CID 125162133) is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2cccc(C(=O)NC[C@H]3CCN(C4CCCCC4)C3)c2)nc1.
What is the InChIKey of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is MGPGIQQHNYAXME-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N3O/c1-18-10-11-23(25-15-18)20-6-5-7-21(14-20)24(28)26-16-19-12-13-27(17-19)22-8-3-2-4-9-22/h5-7,10-11,14-15,19,22H,2-4,8-9,12-13,16-17H2,1H3,(H,26,28)/t19-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide?
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 377.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 125162133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).