(1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide

C24H31N3O2 — CID 161057845

IUPAC(1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide
SMILESCc1nc(N)ccc1CCC(=O)[C@H](C)NC(=O)[C@@H]1CCC(Cc2ccccc2)C1
InChIInChI=1S/C24H31N3O2/c1-16-20(11-13-23(25)26-16)10-12-22(28)17(2)27-24(29)21-9-8-19(15-21)14-18-6-4-3-5-7-18/h3-7,11,13,17,19,21H,8-10,12,14-15H2,1-2H3,(H2,25,26)(H,27,29)/t17-,19?,21+/m0/s1
InChIKeyOUAZCBUTQGSNPX-PRZWFREHSA-N
MW393.53 g/mol
LogP3.64
Rot. Bonds8

About (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide

(1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide (PubChem CID 161057845) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide
PubChem CID161057845
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide
SMILESCc1nc(N)ccc1CCC(=O)[C@H](C)NC(=O)[C@@H]1CCC(Cc2ccccc2)C1
InChIInChI=1S/C24H31N3O2/c1-16-20(11-13-23(25)26-16)10-12-22(28)17(2)27-24(29)21-9-8-19(15-21)14-18-6-4-3-5-7-18/h3-7,11,13,17,19,21H,8-10,12,14-15H2,1-2H3,(H2,25,26)(H,27,29)/t17-,19?,21+/m0/s1
InChIKeyOUAZCBUTQGSNPX-PRZWFREHSA-N
XLogP3.64
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-phenylphenyl)methyl]cyclopentane-1-carboxamide
CID 159674682
3-[[(1R,3R)-3-[[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]carbamoyl]cyclopentyl]methyl]benzoic acid;methyl 3-[[(1R,3R)-3-[[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]carbamoyl]cyclopentyl]methyl]benzoate
CID 159338675
trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-methoxynaphthalen-2-yl)methyl]cyclopentane-1-carboxamide
CID 147886371
cis-(1R,3S)-3-benzyl-N-[(2S)-5-(4-carbamimidoylphenyl)-3-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 162262767
trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide
CID 157423820
trans-(1R,3R)-3-benzyl-N-[(2S)-5-[5-bromo-3-methyl-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 158616696
cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 159183887
(2S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide
CID 166752536
trans-(1R,3R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3-[(4-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxamide
CID 160895096
1-[(1R,3R)-3-benzylcyclopentyl]ethanone
CID 159558232
6-methyl-5-(2-phenylethyl)pyridin-2-amine
CID 68841631
trans-(1R,3R)-N-[(2S)-5-(3-amino-1,2-benzoxazol-6-yl)-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide
CID 158305523

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide?
The IUPAC name of (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide (CID 161057845) is (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide?
The canonical SMILES for (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide is Cc1nc(N)ccc1CCC(=O)[C@H](C)NC(=O)[C@@H]1CCC(Cc2ccccc2)C1.
What is the InChIKey of (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide?
The InChIKey is OUAZCBUTQGSNPX-PRZWFREHSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16-20(11-13-23(25)26-16)10-12-22(28)17(2)27-24(29)21-9-8-19(15-21)14-18-6-4-3-5-7-18/h3-7,11,13,17,19,21H,8-10,12,14-15H2,1-2H3,(H2,25,26)(H,27,29)/t17-,19?,21+/m0/s1.
What are the key properties of (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide?
(1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide is sourced from PubChem (CID 161057845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).