(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide

C20H20ClN3O — CID 97266337

IUPAC(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
SMILESO=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C20H20ClN3O/c21-18-8-6-16(7-9-18)17(15-24-11-3-4-12-24)13-20(25)23-14-19-5-1-2-10-22-19/h1-12,17H,13-15H2,(H,23,25)/t17-/m1/s1
InChIKeyQSLMEOXULJQKKP-QGZVFWFLSA-N
MW353.85 g/mol
LogP4.03
Rot. Bonds7

About (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide

(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide (PubChem CID 97266337) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
PubChem CID97266337
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
SMILESO=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C20H20ClN3O/c21-18-8-6-16(7-9-18)17(15-24-11-3-4-12-24)13-20(25)23-14-19-5-1-2-10-22-19/h1-12,17H,13-15H2,(H,23,25)/t17-/m1/s1
InChIKeyQSLMEOXULJQKKP-QGZVFWFLSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide 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

(3S)-3-(4-chlorophenyl)-4-pyrrol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 97264660
(3S)-3-(4-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-4-pyrrol-1-ylbutanamide
CID 124879790
3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide
CID 110205332
(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
CID 124880062
(3S)-3-(4-chlorophenyl)-4-pyrrol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 97266249
3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide
CID 110355632
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-4-pyrrol-1-ylbutanamide
CID 124878936
(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide
CID 97266725
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 22300039
(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide
CID 97266791

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide (CID 97266337) is (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide is O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1ccccn1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide?
The InChIKey is QSLMEOXULJQKKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-18-8-6-16(7-9-18)17(15-24-11-3-4-12-24)13-20(25)23-14-19-5-1-2-10-22-19/h1-12,17H,13-15H2,(H,23,25)/t17-/m1/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide?
(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide has a molecular weight of 353.85 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 97266337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).