5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C14H15ClN4O — CID 62169928

IUPAC5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(C)Cc2ccncc2)cc1Cl
InChIInChI=1S/C14H15ClN4O/c1-16-13-12(15)7-11(8-18-13)14(20)19(2)9-10-3-5-17-6-4-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyVOUURWFXTBSMPY-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 62169928) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID62169928
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(C)Cc2ccncc2)cc1Cl
InChIInChI=1S/C14H15ClN4O/c1-16-13-12(15)7-11(8-18-13)14(20)19(2)9-10-3-5-17-6-4-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyVOUURWFXTBSMPY-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

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Related Compounds

5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180547
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
5-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62179255
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63020903
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
5-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62243030
4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47039296
6-amino-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62156193
5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62177921

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 62169928) is 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is CNc1ncc(C(=O)N(C)Cc2ccncc2)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is VOUURWFXTBSMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-16-13-12(15)7-11(8-18-13)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 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-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 5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62169928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).