N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide

C23H23N3O3 — CID 172663724

IUPACN-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccccc3)C2)cc1NC(=O)c1ccoc1
InChIInChI=1S/C23H23N3O3/c1-16-7-8-17(13-21(16)25-23(28)18-10-12-29-15-18)22(27)24-19-9-11-26(14-19)20-5-3-2-4-6-20/h2-8,10,12-13,15,19H,9,11,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyUGMCMLPHIBDZKT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.85
Rot. Bonds5

About N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide

N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide (PubChem CID 172663724) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide
PubChem CID172663724
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccccc3)C2)cc1NC(=O)c1ccoc1
InChIInChI=1S/C23H23N3O3/c1-16-7-8-17(13-21(16)25-23(28)18-10-12-29-15-18)22(27)24-19-9-11-26(14-19)20-5-3-2-4-6-20/h2-8,10,12-13,15,19H,9,11,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyUGMCMLPHIBDZKT-UHFFFAOYSA-N
XLogP3.85
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420
4-iodo-3-[(1-phenylpyrrolidin-3-yl)carbamoyl]benzoic acid
CID 166396641
3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 55634715
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-3-carboxamide
CID 76935512
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
4-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(5-amino-2-phenylphenyl)benzamide
CID 174677274
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide (CID 172663724) is N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide is Cc1ccc(C(=O)NC2CCN(c3ccccc3)C2)cc1NC(=O)c1ccoc1.
What is the InChIKey of N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide?
The InChIKey is UGMCMLPHIBDZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-7-8-17(13-21(16)25-23(28)18-10-12-29-15-18)22(27)24-19-9-11-26(14-19)20-5-3-2-4-6-20/h2-8,10,12-13,15,19H,9,11,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide?
N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 172663724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).