2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide

C13H15N5O3 — CID 107625818

IUPAC2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2ccnc(CN)c2)n1
InChIInChI=1S/C13H15N5O3/c1-20-10-6-11(21-2)17-13(16-10)18-12(19)8-3-4-15-9(5-8)7-14/h3-6H,7,14H2,1-2H3,(H,16,17,18,19)
InChIKeyALQURMOJPVYKBK-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.60
Rot. Bonds5

About 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide

2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide (PubChem CID 107625818) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide
PubChem CID107625818
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2ccnc(CN)c2)n1
InChIInChI=1S/C13H15N5O3/c1-20-10-6-11(21-2)17-13(16-10)18-12(19)8-3-4-15-9(5-8)7-14/h3-6H,7,14H2,1-2H3,(H,16,17,18,19)
InChIKeyALQURMOJPVYKBK-UHFFFAOYSA-N
XLogP0.60
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-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

Related Compounds

4-(4,6-Dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione
CID 139594541
N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338401
Pyrimidine-4-carboxamide, 87
CID 44520956
Pyrimidine-4-carboxamide, 88
CID 44520970
N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 15534902
N-(6-methoxypyrimidin-4-yl)picolinamide
CID 44189738
US10894788, Example 37
CID 153314083
N-(6-methoxypyrimidin-4-yl)nicotinamide
CID 71795717
N-(2,4-dimethoxypyrimidin-5-yl)isonicotinamide
CID 71807585
6-methoxy-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 91628505
4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide
CID 75388549
N-(6-methoxypyrimidin-4-yl)-6-methylpyridine-3-carboxamide
CID 75514019

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide (CID 107625818) is 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide is COc1cc(OC)nc(NC(=O)c2ccnc(CN)c2)n1.
What is the InChIKey of 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide?
The InChIKey is ALQURMOJPVYKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-20-10-6-11(21-2)17-13(16-10)18-12(19)8-3-4-15-9(5-8)7-14/h3-6H,7,14H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 107625818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).