N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide

C17H16N4O2 — CID 109303485

IUPACN-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H16N4O2/c1-21(13-6-3-2-4-7-13)17-18-10-9-15(20-17)16(22)19-12-14-8-5-11-23-14/h2-11H,12H2,1H3,(H,19,22)
InChIKeyQKYUQRSGQONXMY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.77
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109303485) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109303485
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H16N4O2/c1-21(13-6-3-2-4-7-13)17-18-10-9-15(20-17)16(22)19-12-14-8-5-11-23-14/h2-11H,12H2,1H3,(H,19,22)
InChIKeyQKYUQRSGQONXMY-UHFFFAOYSA-N
XLogP2.77
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109303441
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109097082
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109297362
6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346373
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
ethyl 2-[[4-(furan-2-ylmethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303578

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide (CID 109303485) is N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide is CN(c1ccccc1)c1nccc(C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is QKYUQRSGQONXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21(13-6-3-2-4-7-13)17-18-10-9-15(20-17)16(22)19-12-14-8-5-11-23-14/h2-11H,12H2,1H3,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).