2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide

C13H13ClN4O — CID 114923423

IUPAC2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)ncc2Cl)cn1
InChIInChI=1S/C13H13ClN4O/c1-8-2-3-9(5-16-8)6-18-13(19)10-4-12(15)17-7-11(10)14/h2-5,7H,6H2,1H3,(H2,15,17)(H,18,19)
InChIKeyKJBIEIYWYAAPSY-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide

2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 114923423) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID114923423
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)ncc2Cl)cn1
InChIInChI=1S/C13H13ClN4O/c1-8-2-3-9(5-16-8)6-18-13(19)10-4-12(15)17-7-11(10)14/h2-5,7H,6H2,1H3,(H2,15,17)(H,18,19)
InChIKeyKJBIEIYWYAAPSY-UHFFFAOYSA-N
XLogP1.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide
CID 166319426
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-chloropyridine-4-carboxamide
CID 114923373
2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114922785
2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 79721449
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684
2-amino-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 106377371
3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 62989223
2-amino-5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114923513
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 62997396

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide (CID 114923423) is 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(N)ncc2Cl)cn1.
What is the InChIKey of 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is KJBIEIYWYAAPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-2-3-9(5-16-8)6-18-13(19)10-4-12(15)17-7-11(10)14/h2-5,7H,6H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114923423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).