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

C13H13ClN4O — CID 62166943

IUPAC3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C13H13ClN4O/c1-15-11-6-5-10(14)12(18-11)13(19)17-8-9-4-2-3-7-16-9/h2-7H,8H2,1H3,(H,15,18)(H,17,19)
InChIKeyMXQTUNCJCIDIBF-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.10
Rot. Bonds4

About 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 62166943) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID62166943
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C13H13ClN4O/c1-15-11-6-5-10(14)12(18-11)13(19)17-8-9-4-2-3-7-16-9/h2-7H,8H2,1H3,(H,15,18)(H,17,19)
InChIKeyMXQTUNCJCIDIBF-UHFFFAOYSA-N
XLogP2.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62187059
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 55206512
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
3-chloro-6-(ethylamino)-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62168209
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
6-amino-3-chloro-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62153756
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62179799
6-methyl-4-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81236822
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 62166943) is 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MXQTUNCJCIDIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-15-11-6-5-10(14)12(18-11)13(19)17-8-9-4-2-3-7-16-9/h2-7H,8H2,1H3,(H,15,18)(H,17,19).
What are the key properties of 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62166943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).