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

C14H15ClN4O — CID 114701806

IUPAC2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ccncc2C)cc(Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-9-7-17-4-3-10(9)8-18-14(20)11-5-12(15)19-13(6-11)16-2/h3-7H,8H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyJNBJURKQBHVLST-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.41
Rot. Bonds4

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

2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 114701806) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID114701806
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ccncc2C)cc(Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-9-7-17-4-3-10(9)8-18-14(20)11-5-12(15)19-13(6-11)16-2/h3-7H,8H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyJNBJURKQBHVLST-UHFFFAOYSA-N
XLogP2.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.41
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

2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701884
2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
CID 114699468
2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870
2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide
CID 113234494
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide
CID 115888738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide (CID 114701806) is 2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide is CNc1cc(C(=O)NCc2ccncc2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is JNBJURKQBHVLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9-7-17-4-3-10(9)8-18-14(20)11-5-12(15)19-13(6-11)16-2/h3-7H,8H2,1-2H3,(H,16,19)(H,18,20).
What are the key properties of 2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114701806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).