N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C17H22N4O — CID 109191631

IUPACN-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-11-21(2)17(22)16-6-5-15(13-20-16)19-12-14-7-9-18-10-8-14/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyJKKVWGRDLLRXPR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.96
Rot. Bonds7

About N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191631) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191631
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-11-21(2)17(22)16-6-5-15(13-20-16)19-12-14-7-9-18-10-8-14/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyJKKVWGRDLLRXPR-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642
5-[3-(dimethylamino)propylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109186113
N-[3-(dimethylamino)propyl]-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104641378
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
5-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109181625
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195948
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047745
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109191631) is N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is CCCCN(C)C(=O)c1ccc(NCc2ccncc2)cn1.
What is the InChIKey of N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is JKKVWGRDLLRXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-11-21(2)17(22)16-6-5-15(13-20-16)19-12-14-7-9-18-10-8-14/h5-10,13,19H,3-4,11-12H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).