N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide

C16H12N4O — CID 110461708

IUPACN-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cncnc2)cc1)c1ccncc1
InChIInChI=1S/C16H12N4O/c21-16(13-5-7-17-8-6-13)20-15-3-1-12(2-4-15)14-9-18-11-19-10-14/h1-11H,(H,20,21)
InChIKeyUEHOBJWGRDEMIC-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.79
Rot. Bonds3

About N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide

N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide (PubChem CID 110461708) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide
PubChem CID110461708
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC NameN-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cncnc2)cc1)c1ccncc1
InChIInChI=1S/C16H12N4O/c21-16(13-5-7-17-8-6-13)20-15-3-1-12(2-4-15)14-9-18-11-19-10-14/h1-11H,(H,20,21)
InChIKeyUEHOBJWGRDEMIC-UHFFFAOYSA-N
XLogP2.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
CID 25058459
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
N-(4-pyrimidin-5-ylphenyl)prop-2-enamide
CID 166406957
4-(pyridine-4-carbonylamino)benzenesulfonic acid
CID 25248911
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide
CID 166404220
N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide (CID 110461708) is N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide is O=C(Nc1ccc(-c2cncnc2)cc1)c1ccncc1.
What is the InChIKey of N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide?
The InChIKey is UEHOBJWGRDEMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-16(13-5-7-17-8-6-13)20-15-3-1-12(2-4-15)14-9-18-11-19-10-14/h1-11H,(H,20,21).
What are the key properties of N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide?
N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 110461708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).