(3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide

C19H25N3O — CID 155515457

IUPAC(3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCN(C(=O)N1CC/C(=C\C#Cc2cccc(C)n2)C1)C(C)C
InChIInChI=1S/C19H25N3O/c1-5-22(15(2)3)19(23)21-13-12-17(14-21)9-7-11-18-10-6-8-16(4)20-18/h6,8-10,15H,5,12-14H2,1-4H3/b17-9+
InChIKeyKASJXLSDMXYCFF-RQZCQDPDSA-N
MW311.43 g/mol
LogP3.22
Rot. Bonds2

About (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide

(3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 155515457) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID155515457
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCN(C(=O)N1CC/C(=C\C#Cc2cccc(C)n2)C1)C(C)C
InChIInChI=1S/C19H25N3O/c1-5-22(15(2)3)19(23)21-13-12-17(14-21)9-7-11-18-10-6-8-16(4)20-18/h6,8-10,15H,5,12-14H2,1-4H3/b17-9+
InChIKeyKASJXLSDMXYCFF-RQZCQDPDSA-N
XLogP3.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 155515457) is (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide is CCN(C(=O)N1CC/C(=C\C#Cc2cccc(C)n2)C1)C(C)C.
What is the InChIKey of (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is KASJXLSDMXYCFF-RQZCQDPDSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-22(15(2)3)19(23)21-13-12-17(14-21)9-7-11-18-10-6-8-16(4)20-18/h6,8-10,15H,5,12-14H2,1-4H3/b17-9+.
What are the key properties of (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide?
(3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 155515457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).