N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide

C18H15N3O2 — CID 70978530

IUPACN-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1Oc1ccccc1)c1ccncn1
InChIInChI=1S/C18H15N3O2/c22-18(16-10-11-19-13-21-16)20-12-14-6-4-5-9-17(14)23-15-7-2-1-3-8-15/h1-11,13H,12H2,(H,20,22)
InChIKeyGNJFXLIZEAFDKL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide

N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 70978530) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID70978530
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1Oc1ccccc1)c1ccncn1
InChIInChI=1S/C18H15N3O2/c22-18(16-10-11-19-13-21-16)20-12-14-6-4-5-9-17(14)23-15-7-2-1-3-8-15/h1-11,13H,12H2,(H,20,22)
InChIKeyGNJFXLIZEAFDKL-UHFFFAOYSA-N
XLogP3.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 142259175
2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide
CID 60599991
1-oxido-N-[(2-phenoxyphenyl)methyl]pyridin-1-ium-2-carboxamide
CID 75364438
(2S)-N-[(2-phenoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94810471
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
CID 110444354
[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
CID 102173247
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline
CID 62758918
3,4-dimethyl-6-oxo-N-[(2-phenoxyphenyl)methyl]-1H-pyridazine-5-carboxamide
CID 71936013
5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191291
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
CID 110909282
N-[(2-propoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 507350

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 70978530) is N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide is O=C(NCc1ccccc1Oc1ccccc1)c1ccncn1.
What is the InChIKey of N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is GNJFXLIZEAFDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(16-10-11-19-13-21-16)20-12-14-6-4-5-9-17(14)23-15-7-2-1-3-8-15/h1-11,13H,12H2,(H,20,22).
What are the key properties of N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide?
N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 70978530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).