2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C18H16N4O3 — CID 109303534

IUPAC2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nccc(C(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)13-4-2-5-14(10-13)21-18-19-8-7-16(22-18)17(24)20-11-15-6-3-9-25-15/h2-10H,11H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyWDNLCUYLFYENBH-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.95
Rot. Bonds6

About 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109303534) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109303534
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nccc(C(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)13-4-2-5-14(10-13)21-18-19-8-7-16(22-18)17(24)20-11-15-6-3-9-25-15/h2-10H,11H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyWDNLCUYLFYENBH-UHFFFAOYSA-N
XLogP2.95
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097178
1-[3-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112889220
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303559
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
1-[3-[[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112915231
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303563
2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303579
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315486

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109303534) is 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2nccc(C(=O)NCc3ccco3)n2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is WDNLCUYLFYENBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12(23)13-4-2-5-14(10-13)21-18-19-8-7-16(22-18)17(24)20-11-15-6-3-9-25-15/h2-10H,11H2,1H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).