N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide

C22H22N4O2 — CID 121374842

IUPACN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide
SMILESN#C[C@@]1(C2CC2)CCN(c2ccnc(NC(=O)CCc3ccccc3)c2)C1=O
InChIInChI=1S/C22H22N4O2/c23-15-22(17-7-8-17)11-13-26(21(22)28)18-10-12-24-19(14-18)25-20(27)9-6-16-4-2-1-3-5-16/h1-5,10,12,14,17H,6-9,11,13H2,(H,24,25,27)/t22-/m1/s1
InChIKeyWXFNJWHLRLTZME-JOCHJYFZSA-N
MW374.44 g/mol
LogP3.31
Rot. Bonds6

About N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide

N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide (PubChem CID 121374842) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide
PubChem CID121374842
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide
SMILESN#C[C@@]1(C2CC2)CCN(c2ccnc(NC(=O)CCc3ccccc3)c2)C1=O
InChIInChI=1S/C22H22N4O2/c23-15-22(17-7-8-17)11-13-26(21(22)28)18-10-12-24-19(14-18)25-20(27)9-6-16-4-2-1-3-5-16/h1-5,10,12,14,17H,6-9,11,13H2,(H,24,25,27)/t22-/m1/s1
InChIKeyWXFNJWHLRLTZME-JOCHJYFZSA-N
XLogP3.31
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
CID 121374564
(3S)-3-cyclopropyl-1-[2-[[6-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374614
(3S)-3-cyclopropyl-1-[2-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374363
1-(2-bromo-4-pyridinyl)-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374381
1-benzyl-3-[4-[(3S)-3-cyano-3-hydroxy-2-oxopyrrolidin-1-yl]-2-pyridinyl]urea
CID 121380842
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 121374389
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-1-(difluoromethyl)pyrazole-5-carboxylic acid;hydrochloride
CID 121374744
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(cyclopropylmethyl)-1-methylpyrazole-5-carboxamide
CID 121374628
(3S)-3-cyclopropyl-1-[2-[[5-(oxan-4-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374438
2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile
CID 121374685
(3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374840
4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]pyridine-2-carboxamide
CID 139327338

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide (CID 121374842) is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide is N#C[C@@]1(C2CC2)CCN(c2ccnc(NC(=O)CCc3ccccc3)c2)C1=O.
What is the InChIKey of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide?
The InChIKey is WXFNJWHLRLTZME-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-15-22(17-7-8-17)11-13-26(21(22)28)18-10-12-24-19(14-18)25-20(27)9-6-16-4-2-1-3-5-16/h1-5,10,12,14,17H,6-9,11,13H2,(H,24,25,27)/t22-/m1/s1.
What are the key properties of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide?
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide has a molecular weight of 374.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 121374842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).