5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

C16H19N3O — CID 63724718

IUPAC5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(CN)cn1
InChIInChI=1S/C16H19N3O/c1-11(2)13-5-3-4-6-14(13)19-16(20)15-8-7-12(9-17)10-18-15/h3-8,10-11H,9,17H2,1-2H3,(H,19,20)
InChIKeyCJKOQZNOKPMUSN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.92
Rot. Bonds4

About 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 63724718) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID63724718
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(CN)cn1
InChIInChI=1S/C16H19N3O/c1-11(2)13-5-3-4-6-14(13)19-16(20)15-8-7-12(9-17)10-18-15/h3-8,10-11H,9,17H2,1-2H3,(H,19,20)
InChIKeyCJKOQZNOKPMUSN-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109191897
5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109196630
N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180529
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 107863938
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109188310
5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290312
6-hydrazinyl-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 62236502
5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109287909
N-(2-aminophenyl)-5-ethylpyridine-2-carboxamide
CID 145488615
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (CID 63724718) is 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccccc1NC(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is CJKOQZNOKPMUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)13-5-3-4-6-14(13)19-16(20)15-8-7-12(9-17)10-18-15/h3-8,10-11H,9,17H2,1-2H3,(H,19,20).
What are the key properties of 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 63724718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).