N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide

C17H14N4O — CID 70978537

IUPACN-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1cccc(-c2cccnc2)c1)c1ccncn1
InChIInChI=1S/C17H14N4O/c22-17(16-6-8-19-12-21-16)20-10-13-3-1-4-14(9-13)15-5-2-7-18-11-15/h1-9,11-12H,10H2,(H,20,22)
InChIKeyIAIPDAQCGBQPIB-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.47
Rot. Bonds4

About N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide

N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 70978537) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID70978537
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1cccc(-c2cccnc2)c1)c1ccncn1
InChIInChI=1S/C17H14N4O/c22-17(16-6-8-19-12-21-16)20-10-13-3-1-4-14(9-13)15-5-2-7-18-11-15/h1-9,11-12H,10H2,(H,20,22)
InChIKeyIAIPDAQCGBQPIB-UHFFFAOYSA-N
XLogP2.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919645
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72848910
4-[[[6-(pyridin-3-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 10222039
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282
3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91590500
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
3-methyl-1-[(3-pyridin-3-ylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010194
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide
CID 167976591
(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 171702919

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide (CID 70978537) is N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide is O=C(NCc1cccc(-c2cccnc2)c1)c1ccncn1.
What is the InChIKey of N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is IAIPDAQCGBQPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(16-6-8-19-12-21-16)20-10-13-3-1-4-14(9-13)15-5-2-7-18-11-15/h1-9,11-12H,10H2,(H,20,22).
What are the key properties of N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide?
N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 70978537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).