N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide

C19H25N5O2 — CID 146292196

IUPACN-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide
SMILES[H]/N=C(C(=C\NC)/NC(=O)c1cccc(C(=C)C)n1)\N1CCC(C)(C)C1=O
InChIInChI=1S/C19H25N5O2/c1-12(2)13-7-6-8-14(22-13)17(25)23-15(11-21-5)16(20)24-10-9-19(3,4)18(24)26/h6-8,11,20-21H,1,9-10H2,2-5H3,(H,23,25)/b15-11+,20-16-
InChIKeyOXVJUFARIRRSOO-VUMALJFMSA-N
MW355.44 g/mol
LogP2.14
Rot. Bonds5

About N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide

N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide (PubChem CID 146292196) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide
PubChem CID146292196
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide
SMILES[H]/N=C(C(=C\NC)/NC(=O)c1cccc(C(=C)C)n1)\N1CCC(C)(C)C1=O
InChIInChI=1S/C19H25N5O2/c1-12(2)13-7-6-8-14(22-13)17(25)23-15(11-21-5)16(20)24-10-9-19(3,4)18(24)26/h6-8,11,20-21H,1,9-10H2,2-5H3,(H,23,25)/b15-11+,20-16-
InChIKeyOXVJUFARIRRSOO-VUMALJFMSA-N
XLogP2.14
TPSA98.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide (CID 146292196) is N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide is [H]/N=C(C(=C\NC)/NC(=O)c1cccc(C(=C)C)n1)\N1CCC(C)(C)C1=O.
What is the InChIKey of N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide?
The InChIKey is OXVJUFARIRRSOO-VUMALJFMSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12(2)13-7-6-8-14(22-13)17(25)23-15(11-21-5)16(20)24-10-9-19(3,4)18(24)26/h6-8,11,20-21H,1,9-10H2,2-5H3,(H,23,25)/b15-11+,20-16-.
What are the key properties of N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide?
N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-prop-1-en-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 146292196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).