N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C16H20N4O — CID 109181042

IUPACN-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C16H20N4O/c1-12(2)9-20-16(21)15-4-3-14(11-19-15)18-10-13-5-7-17-8-6-13/h3-8,11-12,18H,9-10H2,1-2H3,(H,20,21)
InChIKeyPUZNZDSGQZVMTR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds6

About N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109181042) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109181042
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C16H20N4O/c1-12(2)9-20-16(21)15-4-3-14(11-19-15)18-10-13-5-7-17-8-6-13/h3-8,11-12,18H,9-10H2,1-2H3,(H,20,21)
InChIKeyPUZNZDSGQZVMTR-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 N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)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

N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181046
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109181042) is N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is CC(C)CNC(=O)c1ccc(NCc2ccncc2)cn1.
What is the InChIKey of N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is PUZNZDSGQZVMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)9-20-16(21)15-4-3-14(11-19-15)18-10-13-5-7-17-8-6-13/h3-8,11-12,18H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-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 N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109181042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).