N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide

C17H14N4O — CID 122261812

IUPACN-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1ccccn1
InChIInChI=1S/C17H14N4O/c22-17(15-8-4-5-9-18-15)19-11-14-10-16(21-12-20-14)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,19,22)
InChIKeyCJBIRLNANOFSNM-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.47
Rot. Bonds4

About N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide

N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 122261812) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
PubChem CID122261812
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1ccccn1
InChIInChI=1S/C17H14N4O/c22-17(15-8-4-5-9-18-15)19-11-14-10-16(21-12-20-14)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,19,22)
InChIKeyCJBIRLNANOFSNM-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

3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
2,4-dioxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 122262021
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 122261802
N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 122262082
2-chloro-5-nitro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261794
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
CID 122261913
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262101

Frequently Asked Questions

What is the IUPAC name of N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide (CID 122261812) is N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide is O=C(NCc1cc(-c2ccccc2)ncn1)c1ccccn1.
What is the InChIKey of N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is CJBIRLNANOFSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(15-8-4-5-9-18-15)19-11-14-10-16(21-12-20-14)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,19,22).
What are the key properties of N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-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-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 122261812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).