N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide

C17H20N4O2 — CID 67506426

IUPACN-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
SMILESN#C[C@@H]1CCCN1C(=O)C1CC(NC(=O)c2ccccc2)CN1
InChIInChI=1S/C17H20N4O2/c18-10-14-7-4-8-21(14)17(23)15-9-13(11-19-15)20-16(22)12-5-2-1-3-6-12/h1-3,5-6,13-15,19H,4,7-9,11H2,(H,20,22)/t13?,14-,15?/m0/s1
InChIKeyMNQYULWVRDDPQS-SLTAFYQDSA-N
MW312.37 g/mol
LogP0.66
Rot. Bonds3

About N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide

N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide (PubChem CID 67506426) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
PubChem CID67506426
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
SMILESN#C[C@@H]1CCCN1C(=O)C1CC(NC(=O)c2ccccc2)CN1
InChIInChI=1S/C17H20N4O2/c18-10-14-7-4-8-21(14)17(23)15-9-13(11-19-15)20-16(22)12-5-2-1-3-6-12/h1-3,5-6,13-15,19H,4,7-9,11H2,(H,20,22)/t13?,14-,15?/m0/s1
InChIKeyMNQYULWVRDDPQS-SLTAFYQDSA-N
XLogP0.66
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(4S)-4-benzamidopyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid
CID 143049705
(2S)-1-[(2S,4S)-4-anilinopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 67506790
3-[(3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzoic acid
CID 87953522
2-amino-N-[(3S,5S)-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetamide
CID 67506586
1-[(2S,4S)-4-(pyrimidin-2-ylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 67507087
(2S)-1-[4-(cyclohexylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 67506593
1-[(2S,4S)-4-(4-nitroanilino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 67506829
(2S)-1-[(2S,4S)-4-[(4-cyanophenyl)methylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;dihydrochloride
CID 67506711
3-[(3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzoic acid;4-methylbenzenesulfonic acid
CID 87953521
5-(2-cyanopyrrolidine-1-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 73033242
5-benzamidopiperidine-2-carboxylic acid
CID 66965508
1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 91248515

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide (CID 67506426) is N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide is N#C[C@@H]1CCCN1C(=O)C1CC(NC(=O)c2ccccc2)CN1.
What is the InChIKey of N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide?
The InChIKey is MNQYULWVRDDPQS-SLTAFYQDSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-10-14-7-4-8-21(14)17(23)15-9-13(11-19-15)20-16(22)12-5-2-1-3-6-12/h1-3,5-6,13-15,19H,4,7-9,11H2,(H,20,22)/t13?,14-,15?/m0/s1.
What are the key properties of N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide?
N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 67506426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).