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

C19H17N3O2 — CID 142259175

IUPACN-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccncn1
InChIInChI=1S/C19H17N3O2/c23-19(18-11-12-20-14-22-18)21-13-10-15-6-8-17(9-7-15)24-16-4-2-1-3-5-16/h1-9,11-12,14H,10,13H2,(H,21,23)
InChIKeyNYQIDHAQOPNVSO-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.24
Rot. Bonds6

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

N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 142259175) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID142259175
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccncn1
InChIInChI=1S/C19H17N3O2/c23-19(18-11-12-20-14-22-18)21-13-10-15-6-8-17(9-7-15)24-16-4-2-1-3-5-16/h1-9,11-12,14H,10,13H2,(H,21,23)
InChIKeyNYQIDHAQOPNVSO-UHFFFAOYSA-N
XLogP3.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 70978530
N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10295933
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723
N-propylpyrimidine-4-carboxamide
CID 89156251
N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 110699104
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109306340
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
CID 126657315
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351495
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide (CID 142259175) is N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide is O=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccncn1.
What is the InChIKey of N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is NYQIDHAQOPNVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(18-11-12-20-14-22-18)21-13-10-15-6-8-17(9-7-15)24-16-4-2-1-3-5-16/h1-9,11-12,14H,10,13H2,(H,21,23).
What are the key properties of N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide?
N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 142259175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).