2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide

C22H16N8O3 — CID 144765692

IUPAC2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
SMILESO=C(Nc1cccnc1)c1cc(C(=O)Nc2cccnc2)nc(C(=O)Nc2cccnc2)n1
InChIInChI=1S/C22H16N8O3/c31-20(26-14-4-1-7-23-11-14)17-10-18(21(32)27-15-5-2-8-24-12-15)30-19(29-17)22(33)28-16-6-3-9-25-13-16/h1-13H,(H,26,31)(H,27,32)(H,28,33)
InChIKeyCBAHNJPYGBVJLV-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.42
Rot. Bonds6

About 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide

2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide (PubChem CID 144765692) has the molecular formula C22H16N8O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide.

Molecular Properties

Compound Name2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
PubChem CID144765692
Molecular FormulaC22H16N8O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC Name2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
SMILESO=C(Nc1cccnc1)c1cc(C(=O)Nc2cccnc2)nc(C(=O)Nc2cccnc2)n1
InChIInChI=1S/C22H16N8O3/c31-20(26-14-4-1-7-23-11-14)17-10-18(21(32)27-15-5-2-8-24-12-15)30-19(29-17)22(33)28-16-6-3-9-25-13-16/h1-13H,(H,26,31)(H,27,32)(H,28,33)
InChIKeyCBAHNJPYGBVJLV-UHFFFAOYSA-N
XLogP2.42
TPSA151.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide 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

2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
4-chloro-N-pyridin-3-ylquinoline-2-carboxamide
CID 63376160
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide
CID 110485373
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
CID 142362008
6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 163252988
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide?
The IUPAC name of 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide (CID 144765692) is 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide.
What is the SMILES notation for 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide?
The canonical SMILES for 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide is O=C(Nc1cccnc1)c1cc(C(=O)Nc2cccnc2)nc(C(=O)Nc2cccnc2)n1.
What is the InChIKey of 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide?
The InChIKey is CBAHNJPYGBVJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8O3/c31-20(26-14-4-1-7-23-11-14)17-10-18(21(32)27-15-5-2-8-24-12-15)30-19(29-17)22(33)28-16-6-3-9-25-13-16/h1-13H,(H,26,31)(H,27,32)(H,28,33).
What are the key properties of 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide?
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide has a molecular weight of 440.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide is sourced from PubChem (CID 144765692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).