cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H16N2O3 — CID 95401115

IUPACcis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C13H16N2O3/c1-8-3-2-4-11(14-8)15-12(16)9-5-6-10(7-9)13(17)18/h2-4,9-10H,5-7H2,1H3,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1
InChIKeyKILAQXYMBWIHCP-VHSXEESVSA-N
MW248.28 g/mol
LogP1.83
Rot. Bonds3

About cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 95401115) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID95401115
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namecis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C13H16N2O3/c1-8-3-2-4-11(14-8)15-12(16)9-5-6-10(7-9)13(17)18/h2-4,9-10H,5-7H2,1H3,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1
InChIKeyKILAQXYMBWIHCP-VHSXEESVSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
4-ethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114931912
N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 43185838
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789939
N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47090227
4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 6621139
(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 95401115) is cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1.
What is the InChIKey of cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is KILAQXYMBWIHCP-VHSXEESVSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-3-2-4-11(14-8)15-12(16)9-5-6-10(7-9)13(17)18/h2-4,9-10H,5-7H2,1H3,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 95401115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).