2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

C14H15ClN4O — CID 62169933

IUPAC2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2ccncc2)cc(Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-16-13-8-11(7-12(15)18-13)14(20)19(2)9-10-3-5-17-6-4-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyVUCZBKUAIOCXDQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.44
Rot. Bonds4

About 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 62169933) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID62169933
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2ccncc2)cc(Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-16-13-8-11(7-12(15)18-13)14(20)19(2)9-10-3-5-17-6-4-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyVUCZBKUAIOCXDQ-UHFFFAOYSA-N
XLogP2.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 56805111
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62169928
2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 62241591
4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47039296
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide
CID 62172641
2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 56805118
N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62170882
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 114953146
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (CID 62169933) is 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)Cc2ccncc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is VUCZBKUAIOCXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-16-13-8-11(7-12(15)18-13)14(20)19(2)9-10-3-5-17-6-4-10/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62169933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).