2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide

C13H13ClN4O — CID 133319280

IUPAC2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCc1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN4O/c1-15-13(19)10-3-2-6-16-12(10)18-8-9-4-5-11(14)17-7-9/h2-7H,8H2,1H3,(H,15,19)(H,16,18)
InChIKeyYEHGFISMSJZMSU-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.10
Rot. Bonds4

About 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide

2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide (PubChem CID 133319280) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide
PubChem CID133319280
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCc1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN4O/c1-15-13(19)10-3-2-6-16-12(10)18-8-9-4-5-11(14)17-7-9/h2-7H,8H2,1H3,(H,15,19)(H,16,18)
InChIKeyYEHGFISMSJZMSU-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

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133320849
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 71996721
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 3320057
N-methyl-2-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxamide
CID 133321099
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-methylpyridine-3-carboxamide
CID 133345555
N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62269325
3-[3-[(6-chloro-3-pyridinyl)methylamino]-2-pyridinyl]-3-oxo-2-phenylpropanoic acid
CID 53233876
3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115683654
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
2-[(2-hydroxycyclopentyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133324096

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide (CID 133319280) is 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NCc1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is YEHGFISMSJZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-15-13(19)10-3-2-6-16-12(10)18-8-9-4-5-11(14)17-7-9/h2-7H,8H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide?
2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-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 2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133319280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).