N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide

C14H15N3O2 — CID 139482087

IUPACN-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide
SMILESCCc1cccc(NC(=O)c2cnc(OC)nc2)c1
InChIInChI=1S/C14H15N3O2/c1-3-10-5-4-6-12(7-10)17-13(18)11-8-15-14(19-2)16-9-11/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyNIJXTPAGGMYXIP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.30
Rot. Bonds4

About N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide

N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide (PubChem CID 139482087) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide
PubChem CID139482087
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide
SMILESCCc1cccc(NC(=O)c2cnc(OC)nc2)c1
InChIInChI=1S/C14H15N3O2/c1-3-10-5-4-6-12(7-10)17-13(18)11-8-15-14(19-2)16-9-11/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyNIJXTPAGGMYXIP-UHFFFAOYSA-N
XLogP2.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 53337924
N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 53337925
N-[3-(hydroxymethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 60698682
N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482
N-(3-ethylphenyl)-3-phenoxybenzamide
CID 7935232
5-(aminomethyl)-N-(3-ethylphenyl)pyridine-2-carboxamide
CID 55230586
6-amino-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62060991
N-(3-ethylphenyl)-1H-indazole-6-carboxamide
CID 60715268

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide (CID 139482087) is N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide is CCc1cccc(NC(=O)c2cnc(OC)nc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide?
The InChIKey is NIJXTPAGGMYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-10-5-4-6-12(7-10)17-13(18)11-8-15-14(19-2)16-9-11/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide?
N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 139482087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).