N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide

C18H20N2O — CID 4653745

IUPACN-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1ccnc(NC(=O)C2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C18H20N2O/c1-14-9-12-19-16(13-14)20-17(21)18(10-5-6-11-18)15-7-3-2-4-8-15/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,19,20,21)
InChIKeyZKFLWOUNDGBXLZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.84
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide

N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 4653745) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID4653745
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1ccnc(NC(=O)C2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C18H20N2O/c1-14-9-12-19-16(13-14)20-17(21)18(10-5-6-11-18)15-7-3-2-4-8-15/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,19,20,21)
InChIKeyZKFLWOUNDGBXLZ-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 52723771
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
CID 27456641
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 110439479
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001
1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 56523205
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 25247161
1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 56523181
1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80599079
1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
CID 112845764

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide (CID 4653745) is N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide is Cc1ccnc(NC(=O)C2(c3ccccc3)CCCC2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is ZKFLWOUNDGBXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-9-12-19-16(13-14)20-17(21)18(10-5-6-11-18)15-7-3-2-4-8-15/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,19,20,21).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 4653745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).