1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide

C19H14N6O — CID 176859418

IUPAC1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccn2)n1)c1cccn1-c1ccncc1
InChIInChI=1S/C19H14N6O/c26-19(16-5-3-13-25(16)14-6-10-20-11-7-14)24-17-8-12-22-18(23-17)15-4-1-2-9-21-15/h1-13H,(H,22,23,24,26)
InChIKeyPINNZRZQYWUBCQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.98
Rot. Bonds4

About 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide

1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide (PubChem CID 176859418) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide
PubChem CID176859418
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccn2)n1)c1cccn1-c1ccncc1
InChIInChI=1S/C19H14N6O/c26-19(16-5-3-13-25(16)14-6-10-20-11-7-14)24-17-8-12-22-18(23-17)15-4-1-2-9-21-15/h1-13H,(H,22,23,24,26)
InChIKeyPINNZRZQYWUBCQ-UHFFFAOYSA-N
XLogP2.98
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-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-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide
CID 176858503
1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide
CID 176858420
4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide
CID 176858566
1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide
CID 70814491
2-[(6-methoxy-3-pyridinyl)methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide
CID 129255796
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 176859130
4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 3439528
4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine
CID 169409381
N-(5-pyridin-2-ylpyrazin-2-yl)benzamide
CID 137408648
N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
CID 91076966
5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 137429773

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide (CID 176859418) is 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide is O=C(Nc1ccnc(-c2ccccn2)n1)c1cccn1-c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide?
The InChIKey is PINNZRZQYWUBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c26-19(16-5-3-13-25(16)14-6-10-20-11-7-14)24-17-8-12-22-18(23-17)15-4-1-2-9-21-15/h1-13H,(H,22,23,24,26).
What are the key properties of 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide?
1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 176859418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).