N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide

C23H41N7O2 — CID 146292138

About N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide

N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide (PubChem CID 146292138) has the molecular formula C23H41N7O2 and a molecular weight of 447.63 g/mol. Its IUPAC name is N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide
• PubChem CID: 146292138
• Molecular Formula: C23H41N7O2
• Molecular Weight: 447.63 g/mol
• Exact Mass: 447.33
• IUPAC Name: N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide
• SMILES: C=CN(CCC)CCN(C)C(NC)/C(=C\NC)NC(=O)C1=CC=CC(N2CCOCC2)N1
• InChI: InChI=1S/C23H41N7O2/c1-6-11-29(7-2)13-12-28(5)22(25-4)20(18-24-3)27-23(31)19-9-8-10-21(26-19)30-14-16-32-17-15-30/h7-10,18,21-22,24-26H,2,6,11-17H2,1,3-5H3,(H,27,31)/b20-18+
• InChIKey: QFTWODAORKPDFJ-CZIZESTLSA-N
• XLogP: 0.20
• TPSA: 84.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.63
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide?

The IUPAC name of N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide (CID 146292138) is N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide.

What is the SMILES notation for N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide?

The canonical SMILES for N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide is C=CN(CCC)CCN(C)C(NC)/C(=C\NC)NC(=O)C1=CC=CC(N2CCOCC2)N1.

What is the InChIKey of N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide?

The InChIKey is QFTWODAORKPDFJ-CZIZESTLSA-N. The full InChI is InChI=1S/C23H41N7O2/c1-6-11-29(7-2)13-12-28(5)22(25-4)20(18-24-3)27-23(31)19-9-8-10-21(26-19)30-14-16-32-17-15-30/h7-10,18,21-22,24-26H,2,6,11-17H2,1,3-5H3,(H,27,31)/b20-18+.

What are the key properties of N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide?

N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide has a molecular weight of 447.63 g/mol, XLogP of 0.20, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-3-[2-[ethenyl(propyl)amino]ethyl-methylamino]-1,3-bis(methylamino)prop-1-en-2-yl]-2-morpholin-4-yl-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 146292138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).