N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide

C13H14N4O2 — CID 105063003

IUPACN-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(C)c1ccncc1N
InChIInChI=1S/C13H14N4O2/c1-17(11-4-6-15-7-10(11)14)13(18)9-3-5-16-8-12(9)19-2/h3-8H,14H2,1-2H3
InChIKeyCTYABJGOCSNSIH-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.34
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide

N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide (PubChem CID 105063003) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
PubChem CID105063003
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(C)c1ccncc1N
InChIInChI=1S/C13H14N4O2/c1-17(11-4-6-15-7-10(11)14)13(18)9-3-5-16-8-12(9)19-2/h3-8H,14H2,1-2H3
InChIKeyCTYABJGOCSNSIH-UHFFFAOYSA-N
XLogP1.34
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide (CID 105063003) is N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide is COc1cnccc1C(=O)N(C)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide?
The InChIKey is CTYABJGOCSNSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17(11-4-6-15-7-10(11)14)13(18)9-3-5-16-8-12(9)19-2/h3-8H,14H2,1-2H3.
What are the key properties of N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide?
N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105063003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).