N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide

C17H23N3O2 — CID 94695229

IUPACN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N[C@H]2CCN(C3CC3)C2)c1
InChIInChI=1S/C17H23N3O2/c1-2-16(21)18-13-5-3-4-12(10-13)17(22)19-14-8-9-20(11-14)15-6-7-15/h3-5,10,14-15H,2,6-9,11H2,1H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyZNNPBNUZXQTJSS-AWEZNQCLSA-N
MW301.39 g/mol
LogP2.00
Rot. Bonds5

About N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide (PubChem CID 94695229) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide
PubChem CID94695229
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N[C@H]2CCN(C3CC3)C2)c1
InChIInChI=1S/C17H23N3O2/c1-2-16(21)18-13-5-3-4-12(10-13)17(22)19-14-8-9-20(11-14)15-6-7-15/h3-5,10,14-15H,2,6-9,11H2,1H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyZNNPBNUZXQTJSS-AWEZNQCLSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 51100170
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
N-[(1S,2S)-2-(3-methylbutoxy)cyclohexyl]-3-(propanoylamino)benzamide
CID 97095254
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 62161092
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide (CID 94695229) is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)N[C@H]2CCN(C3CC3)C2)c1.
What is the InChIKey of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide?
The InChIKey is ZNNPBNUZXQTJSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-16(21)18-13-5-3-4-12(10-13)17(22)19-14-8-9-20(11-14)15-6-7-15/h3-5,10,14-15H,2,6-9,11H2,1H3,(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide?
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 94695229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).