3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide

C14H19N3O — CID 100632231

IUPAC3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide
SMILESNc1cc(C(=O)NC2CC2)ccc1N1CCCC1
InChIInChI=1S/C14H19N3O/c15-12-9-10(14(18)16-11-4-5-11)3-6-13(12)17-7-1-2-8-17/h3,6,9,11H,1-2,4-5,7-8,15H2,(H,16,18)
InChIKeyABQSLGQXQMAPCR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.76
Rot. Bonds3

About 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide

3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide (PubChem CID 100632231) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide
PubChem CID100632231
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide
SMILESNc1cc(C(=O)NC2CC2)ccc1N1CCCC1
InChIInChI=1S/C14H19N3O/c15-12-9-10(14(18)16-11-4-5-11)3-6-13(12)17-7-1-2-8-17/h3,6,9,11H,1-2,4-5,7-8,15H2,(H,16,18)
InChIKeyABQSLGQXQMAPCR-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]benzamide
CID 23733637
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
CID 82992166
(3-amino-4-pyrrolidin-1-ylphenyl)-(3,4-dimethylphenyl)methanone
CID 39403757
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide
CID 82069705
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide (CID 100632231) is 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide is Nc1cc(C(=O)NC2CC2)ccc1N1CCCC1.
What is the InChIKey of 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide?
The InChIKey is ABQSLGQXQMAPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-12-9-10(14(18)16-11-4-5-11)3-6-13(12)17-7-1-2-8-17/h3,6,9,11H,1-2,4-5,7-8,15H2,(H,16,18).
What are the key properties of 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide?
3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide has a molecular weight of 245.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 100632231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).