4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide

C13H14N4O — CID 171327108

IUPAC4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
SMILESCN(Cc1ccccn1)c1ccnc(C(N)=O)c1
InChIInChI=1S/C13H14N4O/c1-17(9-10-4-2-3-6-15-10)11-5-7-16-12(8-11)13(14)18/h2-8H,9H2,1H3,(H2,14,18)
InChIKeyMAFIHZBOONHRBZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.21
Rot. Bonds4

About 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide

4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide (PubChem CID 171327108) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
PubChem CID171327108
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
SMILESCN(Cc1ccccn1)c1ccnc(C(N)=O)c1
InChIInChI=1S/C13H14N4O/c1-17(9-10-4-2-3-6-15-10)11-5-7-16-12(8-11)13(14)18/h2-8H,9H2,1H3,(H2,14,18)
InChIKeyMAFIHZBOONHRBZ-UHFFFAOYSA-N
XLogP1.21
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365
4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 133313281
4-[methyl(2-phenylethyl)amino]pyridine-2-carboxamide
CID 75509679
1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 104528407
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
N-methyl-2-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 62282399
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417
methyl 4-[[(2-carbamoyl-4-pyridinyl)-methylamino]methyl]benzoate
CID 133313787
4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide
CID 54992228
1-[4-[methyl(pyridin-2-ylmethyl)amino]-2-nitrophenyl]ethanone
CID 104529552

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide?
The IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide (CID 171327108) is 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide is CN(Cc1ccccn1)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide?
The InChIKey is MAFIHZBOONHRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17(9-10-4-2-3-6-15-10)11-5-7-16-12(8-11)13(14)18/h2-8H,9H2,1H3,(H2,14,18).
What are the key properties of 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide?
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 171327108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).