2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

C18H16N4O3 — CID 109254991

IUPAC2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc(C(=O)NCc3ccco3)cn2)cc1
InChIInChI=1S/C18H16N4O3/c1-12(23)13-4-6-15(7-5-13)22-18-20-9-14(10-21-18)17(24)19-11-16-3-2-8-25-16/h2-10H,11H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyNFGDGFNZDXUXSF-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109254991) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109254991
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc(C(=O)NCc3ccco3)cn2)cc1
InChIInChI=1S/C18H16N4O3/c1-12(23)13-4-6-15(7-5-13)22-18-20-9-14(10-21-18)17(24)19-11-16-3-2-8-25-16/h2-10H,11H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyNFGDGFNZDXUXSF-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

N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255161
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254949
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257457
2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085109
4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109253483
N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
CID 71708375
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303534
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109254991) is 2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is CC(=O)c1ccc(Nc2ncc(C(=O)NCc3ccco3)cn2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is NFGDGFNZDXUXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12(23)13-4-6-15(7-5-13)22-18-20-9-14(10-21-18)17(24)19-11-16-3-2-8-25-16/h2-10H,11H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of 2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-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-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).