4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C15H18N4O — CID 109201520

IUPAC4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)Nc1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C15H18N4O/c1-11(2)19-12-6-8-17-14(9-12)15(20)18-10-13-5-3-4-7-16-13/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHMFBQXGACVXHTE-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.23
Rot. Bonds5

About 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109201520) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109201520
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)Nc1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C15H18N4O/c1-11(2)19-12-6-8-17-14(9-12)15(20)18-10-13-5-3-4-7-16-13/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHMFBQXGACVXHTE-UHFFFAOYSA-N
XLogP2.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-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

4-(3,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212720
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212771
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212781
4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109340604
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
CID 18107560
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
4-(dipropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212707
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109206050

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109201520) is 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is CC(C)Nc1ccnc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is HMFBQXGACVXHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(2)19-12-6-8-17-14(9-12)15(20)18-10-13-5-3-4-7-16-13/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109201520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).