6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C17H22N4O — CID 109158137

IUPAC6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-11-21(2)16-6-5-15(13-19-16)17(22)20-12-14-7-9-18-10-8-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyXADWZDJWZRKXCC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.64
Rot. Bonds7

About 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109158137) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109158137
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-11-21(2)16-6-5-15(13-19-16)17(22)20-12-14-7-9-18-10-8-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyXADWZDJWZRKXCC-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dipropylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158139
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047745
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156545
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109153874
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 17200575
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156713
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109255237
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109158137) is 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is CCCCN(C)c1ccc(C(=O)NCc2ccncc2)cn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XADWZDJWZRKXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-11-21(2)16-6-5-15(13-19-16)17(22)20-12-14-7-9-18-10-8-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22).
What are the key properties of 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109158137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).