N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide

C19H20N4O3 — CID 131908546

IUPACN-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide
SMILESCc1cnn(CCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1
InChIInChI=1S/C19H20N4O3/c1-13-11-20-23(12-13)8-7-18(24)21-15-5-6-16(14(2)10-15)22-19(25)17-4-3-9-26-17/h3-6,9-12H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRENSHBLHUDJMGL-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.37
Rot. Bonds6

About N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide

N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide (PubChem CID 131908546) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide
PubChem CID131908546
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide
SMILESCc1cnn(CCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1
InChIInChI=1S/C19H20N4O3/c1-13-11-20-23(12-13)8-7-18(24)21-15-5-6-16(14(2)10-15)22-19(25)17-4-3-9-26-17/h3-6,9-12H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRENSHBLHUDJMGL-UHFFFAOYSA-N
XLogP3.37
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 119743182
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 131924223
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677
N-[4-[(2-fluoro-6-methylbenzoyl)amino]-2-methylphenyl]furan-2-carboxamide
CID 131889577

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide (CID 131908546) is N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide is Cc1cnn(CCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1.
What is the InChIKey of N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide?
The InChIKey is RENSHBLHUDJMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-11-20-23(12-13)8-7-18(24)21-15-5-6-16(14(2)10-15)22-19(25)17-4-3-9-26-17/h3-6,9-12H,7-8H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide?
N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 131908546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).