5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C16H20N4O — CID 109224955

IUPAC5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)CNc1cncc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H20N4O/c1-12(2)7-19-15-6-14(10-18-11-15)16(21)20-9-13-4-3-5-17-8-13/h3-6,8,10-12,19H,7,9H2,1-2H3,(H,20,21)
InChIKeyINYVIBHTSLSUPT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds6

About 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 109224955) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID109224955
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)CNc1cncc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H20N4O/c1-12(2)7-19-15-6-14(10-18-11-15)16(21)20-9-13-4-3-5-17-8-13/h3-6,8,10-12,19H,7,9H2,1-2H3,(H,20,21)
InChIKeyINYVIBHTSLSUPT-UHFFFAOYSA-N
XLogP2.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374
5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235330
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235293
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 109224955) is 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CC(C)CNc1cncc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is INYVIBHTSLSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)7-19-15-6-14(10-18-11-15)16(21)20-9-13-4-3-5-17-8-13/h3-6,8,10-12,19H,7,9H2,1-2H3,(H,20,21).
What are the key properties of 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109224955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).