N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide

C18H19BrN2O — CID 25247161

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1nc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Br
InChIInChI=1S/C18H19BrN2O/c1-13-15(19)9-10-16(20-13)21-17(22)18(11-5-6-12-18)14-7-3-2-4-8-14/h2-4,7-10H,5-6,11-12H2,1H3,(H,20,21,22)
InChIKeyYZFVAHNTXYLQQE-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.60
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 25247161) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID25247161
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1nc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Br
InChIInChI=1S/C18H19BrN2O/c1-13-15(19)9-10-16(20-13)21-17(22)18(11-5-6-12-18)14-7-3-2-4-8-14/h2-4,7-10H,5-6,11-12H2,1H3,(H,20,21,22)
InChIKeyYZFVAHNTXYLQQE-UHFFFAOYSA-N
XLogP4.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide
CID 71987346
N-(5-bromo-6-methyl-2-pyridinyl)-1-carbamothioylcycloheptane-1-carboxamide
CID 79041182
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 43546852
N-(5-methyl-1H-imidazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 138045929
N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopentylamino)acetamide
CID 79048110
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80593348
2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 28624302
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide (CID 25247161) is N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide is Cc1nc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is YZFVAHNTXYLQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-13-15(19)9-10-16(20-13)21-17(22)18(11-5-6-12-18)14-7-3-2-4-8-14/h2-4,7-10H,5-6,11-12H2,1H3,(H,20,21,22).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 359.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 25247161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).