N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C23H18N4O — CID 72848910

IUPACN-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(-c2ccccc2)c1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C23H18N4O/c28-23(21-15-25-22(26-16-21)19-9-11-24-12-10-19)27-14-17-5-4-8-20(13-17)18-6-2-1-3-7-18/h1-13,15-16H,14H2,(H,27,28)
InChIKeyNWPUXQBUEHXIIC-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.14
Rot. Bonds5

About N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 72848910) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID72848910
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(-c2ccccc2)c1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C23H18N4O/c28-23(21-15-25-22(26-16-21)19-9-11-24-12-10-19)27-14-17-5-4-8-20(13-17)18-6-2-1-3-7-18/h1-13,15-16H,14H2,(H,27,28)
InChIKeyNWPUXQBUEHXIIC-UHFFFAOYSA-N
XLogP4.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74237063
N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72901757
CID 163851625
CID 163851625
N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide
CID 141050517
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
CID 110460835
N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide
CID 118526786
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 72848910) is N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is O=C(NCc1cccc(-c2ccccc2)c1)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is NWPUXQBUEHXIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-23(21-15-25-22(26-16-21)19-9-11-24-12-10-19)27-14-17-5-4-8-20(13-17)18-6-2-1-3-7-18/h1-13,15-16H,14H2,(H,27,28).
What are the key properties of N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 72848910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).