5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

C13H16ClN5O — CID 63020903

IUPAC5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(C)Cc2nccn2C)cc1Cl
InChIInChI=1S/C13H16ClN5O/c1-15-12-10(14)6-9(7-17-12)13(20)19(3)8-11-16-4-5-18(11)2/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyPPBKEWWUMWAUAT-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.78
Rot. Bonds4

About 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 63020903) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID63020903
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(C)Cc2nccn2C)cc1Cl
InChIInChI=1S/C13H16ClN5O/c1-15-12-10(14)6-9(7-17-12)13(20)19(3)8-11-16-4-5-18(11)2/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyPPBKEWWUMWAUAT-UHFFFAOYSA-N
XLogP1.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62169928
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
5-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62179255
4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 60666102
N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 107375575
5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63025804
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431
N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81241836
5-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 62248435
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
5-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 62166006

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 63020903) is 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is CNc1ncc(C(=O)N(C)Cc2nccn2C)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is PPBKEWWUMWAUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-15-12-10(14)6-9(7-17-12)13(20)19(3)8-11-16-4-5-18(11)2/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63020903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).