trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide

C13H18N2O — CID 58763333

IUPACtrans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)nc1
InChIInChI=1S/C13H18N2O/c1-9-3-5-11(7-9)13(16)15-12-6-4-10(2)8-14-12/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,14,15,16)/t9-,11-/m0/s1
InChIKeyINRDUARGVSTXGO-ONGXEEELSA-N
MW218.30 g/mol
LogP2.76
Rot. Bonds2

About trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide

trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 58763333) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
PubChem CID58763333
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nametrans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)nc1
InChIInChI=1S/C13H18N2O/c1-9-3-5-11(7-9)13(16)15-12-6-4-10(2)8-14-12/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,14,15,16)/t9-,11-/m0/s1
InChIKeyINRDUARGVSTXGO-ONGXEEELSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 42891852
N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107595689
3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6467718
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304
(1R,2R,4S)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40530150
2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 80502105
N-(2,4-dimethylcyclohexyl)-5-methylpyridin-2-amine
CID 63994524
trans-(1R,3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401107
2-methyl-N-(5-methyl-2-pyridinyl)oxane-3-carboxamide
CID 128999567
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide (CID 58763333) is trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide is Cc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)nc1.
What is the InChIKey of trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is INRDUARGVSTXGO-ONGXEEELSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-3-5-11(7-9)13(16)15-12-6-4-10(2)8-14-12/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,14,15,16)/t9-,11-/m0/s1.
What are the key properties of trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide?
trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 58763333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).