(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide

C22H27N3O2 — CID 110305765

IUPAC(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H27N3O2/c26-21(23-18-9-2-1-3-10-18)20-12-7-15-25(20)22(27)17-8-6-11-19(16-17)24-13-4-5-14-24/h4-6,8,11,13-14,16,18,20H,1-3,7,9-10,12,15H2,(H,23,26)/t20-/m0/s1
InChIKeySVNGHMGBUSNZRX-FQEVSTJZSA-N
MW365.48 g/mol
LogP3.53
Rot. Bonds4

About (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide

(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 110305765) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID110305765
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H27N3O2/c26-21(23-18-9-2-1-3-10-18)20-12-7-15-25(20)22(27)17-8-6-11-19(16-17)24-13-4-5-14-24/h4-6,8,11,13-14,16,18,20H,1-3,7,9-10,12,15H2,(H,23,26)/t20-/m0/s1
InChIKeySVNGHMGBUSNZRX-FQEVSTJZSA-N
XLogP3.53
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyrrol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 119164521
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
CID 47158356
N-cyclopentyl-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134799641
(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92895034
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 92895030
(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 110285809
N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399
N-cyclopropyl-1-(2-fluoropyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 61293291
N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 86982588

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide (CID 110305765) is (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide is O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is SVNGHMGBUSNZRX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(23-18-9-2-1-3-10-18)20-12-7-15-25(20)22(27)17-8-6-11-19(16-17)24-13-4-5-14-24/h4-6,8,11,13-14,16,18,20H,1-3,7,9-10,12,15H2,(H,23,26)/t20-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide?
(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110305765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).