N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

C14H16N4O — CID 55046834

IUPACN-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2ccncc2)ccn1
InChIInChI=1S/C14H16N4O/c1-15-13-9-12(5-8-17-13)14(19)18(2)10-11-3-6-16-7-4-11/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyIYOQAKRBQDKANG-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 55046834) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID55046834
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2ccncc2)ccn1
InChIInChI=1S/C14H16N4O/c1-15-13-9-12(5-8-17-13)14(19)18(2)10-11-3-6-16-7-4-11/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyIYOQAKRBQDKANG-UHFFFAOYSA-N
XLogP1.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62170882
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62173439
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174359
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243894
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736
5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62169928
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109170941
2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173135
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (CID 55046834) is N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)Cc2ccncc2)ccn1.
What is the InChIKey of N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is IYOQAKRBQDKANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-15-13-9-12(5-8-17-13)14(19)18(2)10-11-3-6-16-7-4-11/h3-9H,10H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55046834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).