3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide

C16H17N3O2 — CID 95051706

IUPAC3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C16H17N3O2/c17-9-11-2-1-3-13(8-11)15(20)18-14-6-7-19(10-14)16(21)12-4-5-12/h1-3,8,12,14H,4-7,10H2,(H,18,20)/t14-/m0/s1
InChIKeyLFICPPPTFKKNQH-AWEZNQCLSA-N
MW283.33 g/mol
LogP1.30
Rot. Bonds3

About 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide

3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 95051706) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
PubChem CID95051706
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C16H17N3O2/c17-9-11-2-1-3-13(8-11)15(20)18-14-6-7-19(10-14)16(21)12-4-5-12/h1-3,8,12,14H,4-7,10H2,(H,18,20)/t14-/m0/s1
InChIKeyLFICPPPTFKKNQH-AWEZNQCLSA-N
XLogP1.30
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
CID 38209527
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 110820149
N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide
CID 175065160
3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 110797001
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046202
1-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-propylurea
CID 110820501

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide (CID 95051706) is 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide is N#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)C3CC3)C2)c1.
What is the InChIKey of 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is LFICPPPTFKKNQH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-9-11-2-1-3-13(8-11)15(20)18-14-6-7-19(10-14)16(21)12-4-5-12/h1-3,8,12,14H,4-7,10H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide?
3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95051706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).