N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide

C14H13BrN2O — CID 78950948

IUPACN-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O/c1-10-13(3-2-8-16-10)14(18)17-9-11-4-6-12(15)7-5-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyZJVXIWPSPOTVDS-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.08
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide

N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide (PubChem CID 78950948) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
PubChem CID78950948
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O/c1-10-13(3-2-8-16-10)14(18)17-9-11-4-6-12(15)7-5-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyZJVXIWPSPOTVDS-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46909068
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
CID 107096897
N-(2-amino-2-oxoethyl)-2-methylpyridine-3-carboxamide
CID 78953566
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylpyridine-3-carboxamide
CID 104702776
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
CID 114693767
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 166834895
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide (CID 78950948) is N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is ZJVXIWPSPOTVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10-13(3-2-8-16-10)14(18)17-9-11-4-6-12(15)7-5-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide?
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 78950948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).