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

C19H27N5O3 — CID 146292205

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

N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-(2-hydroxypropan-2-yl)pyridine-2-carboxamide (PubChem CID 146292205) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 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-(2-hydroxypropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
• PubChem CID: 146292205
• Molecular Formula: C19H27N5O3
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.21
• IUPAC Name: N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
• SMILES: [H]/N=C(C(=C\NC)/NC(=O)c1cccc(C(C)(C)O)n1)\N1CCC(C)(C)C1=O
• InChI: InChI=1S/C19H27N5O3/c1-18(2)9-10-24(17(18)26)15(20)13(11-21-5)23-16(25)12-7-6-8-14(22-12)19(3,4)27/h6-8,11,20-21,27H,9-10H2,1-5H3,(H,23,25)/b13-11+,20-15-
• InChIKey: XEVFGLFOGDQVQA-ZTSFSLTASA-N
• XLogP: 1.34
• TPSA: 118.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

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-(2-hydroxypropan-2-yl)pyridine-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-(2-hydroxypropan-2-yl)pyridine-2-carboxamide (CID 146292205) is N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-(2-hydroxypropan-2-yl)pyridine-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-(2-hydroxypropan-2-yl)pyridine-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-(2-hydroxypropan-2-yl)pyridine-2-carboxamide is [H]/N=C(C(=C\NC)/NC(=O)c1cccc(C(C)(C)O)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-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?

The InChIKey is XEVFGLFOGDQVQA-ZTSFSLTASA-N. The full InChI is InChI=1S/C19H27N5O3/c1-18(2)9-10-24(17(18)26)15(20)13(11-21-5)23-16(25)12-7-6-8-14(22-12)19(3,4)27/h6-8,11,20-21,27H,9-10H2,1-5H3,(H,23,25)/b13-11+,20-15-.

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-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?

N-[(E)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-3-imino-1-(methylamino)prop-1-en-2-yl]-6-(2-hydroxypropan-2-yl)pyridine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 6 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-(2-hydroxypropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146292205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).