N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide

C19H18N4O — CID 166362090

IUPACN-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccccn2)nc1)c1ccc(CN)cc1
InChIInChI=1S/C19H18N4O/c1-23(16-8-5-14(12-20)6-9-16)19(24)15-7-10-18(22-13-15)17-4-2-3-11-21-17/h2-11,13H,12,20H2,1H3
InChIKeyJIHDFVMNRQYTJD-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.88
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide

N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 166362090) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
PubChem CID166362090
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccccn2)nc1)c1ccc(CN)cc1
InChIInChI=1S/C19H18N4O/c1-23(16-8-5-14(12-20)6-9-16)19(24)15-7-10-18(22-13-15)17-4-2-3-11-21-17/h2-11,13H,12,20H2,1H3
InChIKeyJIHDFVMNRQYTJD-UHFFFAOYSA-N
XLogP2.88
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
CID 28755656
N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 43276007
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286
N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
CID 167871653
5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
CID 153448968
6-amino-N-methyl-N-pyridin-2-ylpyridine-3-carboxamide
CID 62153613
N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949854
2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride
CID 52988212
N-[4-(2-aminoethoxy)phenyl]-N-methylpyridine-3-carboxamide
CID 28755886
6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
CID 154729977

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide (CID 166362090) is N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide is CN(C(=O)c1ccc(-c2ccccn2)nc1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is JIHDFVMNRQYTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-23(16-8-5-14(12-20)6-9-16)19(24)15-7-10-18(22-13-15)17-4-2-3-11-21-17/h2-11,13H,12,20H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide?
N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 166362090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).