(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide

C19H22N4O — CID 11924002

IUPAC(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C19H22N4O/c1-14(19(24)21-16-9-7-15(13-20)8-10-16)23-12-4-6-18(23)17-5-3-11-22(17)2/h3,5,7-11,14,18H,4,6,12H2,1-2H3,(H,21,24)/t14-,18+/m0/s1
InChIKeyODYNOHPXUZWVCE-KBXCAEBGSA-N
MW322.41 g/mol
LogP3.06
Rot. Bonds4

About (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide

(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide (PubChem CID 11924002) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
PubChem CID11924002
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C19H22N4O/c1-14(19(24)21-16-9-7-15(13-20)8-10-16)23-12-4-6-18(23)17-5-3-11-22(17)2/h3,5,7-11,14,18H,4,6,12H2,1-2H3,(H,21,24)/t14-,18+/m0/s1
InChIKeyODYNOHPXUZWVCE-KBXCAEBGSA-N
XLogP3.06
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide 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

(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 11935296
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 32735405
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide
CID 4575110
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide (CID 11924002) is (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H]1c1cccn1C.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is ODYNOHPXUZWVCE-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(19(24)21-16-9-7-15(13-20)8-10-16)23-12-4-6-18(23)17-5-3-11-22(17)2/h3,5,7-11,14,18H,4,6,12H2,1-2H3,(H,21,24)/t14-,18+/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 11924002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).