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

C13H14N4O — CID 133442516

IUPAC4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2ccncc2C(N)=O)n1
InChIInChI=1S/C13H14N4O/c1-9-3-2-4-10(17-9)7-16-12-5-6-15-8-11(12)13(14)18/h2-6,8H,7H2,1H3,(H2,14,18)(H,15,16)
InChIKeyUJBXUAWYORUGPQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.50
Rot. Bonds4

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

4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide (PubChem CID 133442516) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
PubChem CID133442516
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2ccncc2C(N)=O)n1
InChIInChI=1S/C13H14N4O/c1-9-3-2-4-10(17-9)7-16-12-5-6-15-8-11(12)13(14)18/h2-6,8H,7H2,1H3,(H2,14,18)(H,15,16)
InChIKeyUJBXUAWYORUGPQ-UHFFFAOYSA-N
XLogP1.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-3-carboxamide
CID 172624349
5-methyl-2-[(6-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 107928888
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide
CID 133471261
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 79838578
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133468437
1-(3-methyl-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 114699720
4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133468564
3-methyl-2-[(6-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 107108185
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide (CID 133442516) is 4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide is Cc1cccc(CNc2ccncc2C(N)=O)n1.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide?
The InChIKey is UJBXUAWYORUGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-3-2-4-10(17-9)7-16-12-5-6-15-8-11(12)13(14)18/h2-6,8H,7H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide?
4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133442516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).