N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide

C14H19N3O2 — CID 55151727

IUPACN-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2CCNC2)cc1
InChIInChI=1S/C14H19N3O2/c1-2-13(18)16-11-3-5-12(6-4-11)17-14(19)10-7-8-15-9-10/h3-6,10,15H,2,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyHRUQDDAJJJOSGQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.58
Rot. Bonds4

About N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide

N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55151727) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID55151727
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2CCNC2)cc1
InChIInChI=1S/C14H19N3O2/c1-2-13(18)16-11-3-5-12(6-4-11)17-14(19)10-7-8-15-9-10/h3-6,10,15H,2,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyHRUQDDAJJJOSGQ-UHFFFAOYSA-N
XLogP1.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714145
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975
N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119723783
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431

Frequently Asked Questions

What is the IUPAC name of N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide (CID 55151727) is N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide is CCC(=O)Nc1ccc(NC(=O)C2CCNC2)cc1.
What is the InChIKey of N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HRUQDDAJJJOSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-13(18)16-11-3-5-12(6-4-11)17-14(19)10-7-8-15-9-10/h3-6,10,15H,2,7-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide?
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55151727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).