5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide

C13H14N4O — CID 63723889

IUPAC5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
SMILESCc1cnccc1NC(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H14N4O/c1-9-7-15-5-4-11(9)17-13(18)12-3-2-10(6-14)8-16-12/h2-5,7-8H,6,14H2,1H3,(H,15,17,18)
InChIKeyKAKCLXODLJQEOE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.50
Rot. Bonds3

About 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide

5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide (PubChem CID 63723889) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
PubChem CID63723889
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
SMILESCc1cnccc1NC(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H14N4O/c1-9-7-15-5-4-11(9)17-13(18)12-3-2-10(6-14)8-16-12/h2-5,7-8H,6,14H2,1H3,(H,15,17,18)
InChIKeyKAKCLXODLJQEOE-UHFFFAOYSA-N
XLogP1.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

N-(3-methyl-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641367
5-(aminomethyl)-N-pyrazin-2-ylpyridine-2-carboxamide
CID 63722350
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 79234754
2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
CID 63667624
5-(aminomethyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63722889
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 63671568
5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 63724718
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
3-amino-N-(3-methyl-4-pyridinyl)pyrazine-2-carboxamide
CID 136524322
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
5-(aminomethyl)-N-(2,3-difluorophenyl)pyridine-2-carboxamide
CID 55229818

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide (CID 63723889) is 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide is Cc1cnccc1NC(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?
The InChIKey is KAKCLXODLJQEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-7-15-5-4-11(9)17-13(18)12-3-2-10(6-14)8-16-12/h2-5,7-8H,6,14H2,1H3,(H,15,17,18).
What are the key properties of 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide?
5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 63723889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).