N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide

C13H17N3O — CID 170551154

IUPACN-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CCN(c2cccnc2)C1
InChIInChI=1S/C13H17N3O/c1-3-13(17)15(2)12-6-8-16(10-12)11-5-4-7-14-9-11/h3-5,7,9,12H,1,6,8,10H2,2H3
InChIKeyXYYSIBLAWBBEDO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.30
Rot. Bonds3

About N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide

N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide (PubChem CID 170551154) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide
PubChem CID170551154
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CCN(c2cccnc2)C1
InChIInChI=1S/C13H17N3O/c1-3-13(17)15(2)12-6-8-16(10-12)11-5-4-7-14-9-11/h3-5,7,9,12H,1,6,8,10H2,2H3
InChIKeyXYYSIBLAWBBEDO-UHFFFAOYSA-N
XLogP1.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide (CID 170551154) is N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide is C=CC(=O)N(C)C1CCN(c2cccnc2)C1.
What is the InChIKey of N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide?
The InChIKey is XYYSIBLAWBBEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-13(17)15(2)12-6-8-16(10-12)11-5-4-7-14-9-11/h3-5,7,9,12H,1,6,8,10H2,2H3.
What are the key properties of N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide?
N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide has a molecular weight of 231.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 170551154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).