4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile

C24H24N4O — CID 44568459

IUPAC4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile
SMILESCn1cc(N(Cc2ccccc2)c2ccc(C#N)cc2)cc1C(=O)N1CCCC1
InChIInChI=1S/C24H24N4O/c1-26-18-22(15-23(26)24(29)27-13-5-6-14-27)28(17-20-7-3-2-4-8-20)21-11-9-19(16-25)10-12-21/h2-4,7-12,15,18H,5-6,13-14,17H2,1H3
InChIKeyUQSVMOZWLRRFGG-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.47
Rot. Bonds5

About 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile

4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile (PubChem CID 44568459) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile
PubChem CID44568459
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile
SMILESCn1cc(N(Cc2ccccc2)c2ccc(C#N)cc2)cc1C(=O)N1CCCC1
InChIInChI=1S/C24H24N4O/c1-26-18-22(15-23(26)24(29)27-13-5-6-14-27)28(17-20-7-3-2-4-8-20)21-11-9-19(16-25)10-12-21/h2-4,7-12,15,18H,5-6,13-14,17H2,1H3
InChIKeyUQSVMOZWLRRFGG-UHFFFAOYSA-N
XLogP4.47
TPSA52.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 947944
N-Benzyl-N,1-dimethylpyrrole-2-carboxamide
CID 11064199
N-[4-[(Benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2-carbonyl]pyrrolidine
CID 25141236
(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235211
N-[4-[(Cyclohexylmethyl)(3,5-dimethylphenyl)amino]-1-methylpyrrole-2-carbonyl]pyrrolidine
CID 44568352
N-[4-[(Benzyl)(3,5-dimethylphenyl)amino]-1-methylpyrrole-2-carbonyl]pyrrolidine
CID 44568353
N-[4-[(Cyclohexylmethyl)(4-nitrophenyl)amino]-1-methylpyrrole-2-carbonyl]pyrrolidine
CID 44568383
N-[4-[(4-Fluorobenzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2-carbonyl]pyrrolidine
CID 44568384
N-[4-[(4-Methylbenzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2-carbonyl]pyrrolidine
CID 44568408
N-[4-[(Benzyl)(4-nitro-3-trifluoromethylphenyl)amino]-1-methylpyrrole-2-carbonyl]pyrrolidine
CID 44568458
N-{4-[(Benzyl)(4-trifluoromethylphenyl)amino]-1-methylpyrrole-2-carbonyl}pyrrolidine
CID 44568460
N-{4-[(4-Acetylphenyl)(benzyl)amino]-1-methylpyrrole-2-carbonyl}pyrrolidine
CID 44568496

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile?
The IUPAC name of 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile (CID 44568459) is 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile is Cn1cc(N(Cc2ccccc2)c2ccc(C#N)cc2)cc1C(=O)N1CCCC1.
What is the InChIKey of 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile?
The InChIKey is UQSVMOZWLRRFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-26-18-22(15-23(26)24(29)27-13-5-6-14-27)28(17-20-7-3-2-4-8-20)21-11-9-19(16-25)10-12-21/h2-4,7-12,15,18H,5-6,13-14,17H2,1H3.
What are the key properties of 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile?
4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile has a molecular weight of 384.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile is sourced from PubChem (CID 44568459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).