3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

C25H40N4O4 — CID 51359350

About 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (PubChem CID 51359350) has the molecular formula C25H40N4O4 and a molecular weight of 460.62 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
• PubChem CID: 51359350
• Molecular Formula: C25H40N4O4
• Molecular Weight: 460.62 g/mol
• Exact Mass: 460.30
• IUPAC Name: 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
• SMILES: CC1=C(C(=O)N(C(C)C)C(C)C)CC(CC(=O)NC2CC2)C(=O)N1CCCN1CCCC1=O
• InChI: InChI=1S/C25H40N4O4/c1-16(2)29(17(3)4)25(33)21-14-19(15-22(30)26-20-9-10-20)24(32)28(18(21)5)13-7-12-27-11-6-8-23(27)31/h16-17,19-20H,6-15H2,1-5H3,(H,26,30)
• InChIKey: ACYWKBHJHFGEOB-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.62
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?

The IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (CID 51359350) is 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.

What is the SMILES notation for 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?

The canonical SMILES for 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C(C)C)C(C)C)CC(CC(=O)NC2CC2)C(=O)N1CCCN1CCCC1=O.

What is the InChIKey of 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?

The InChIKey is ACYWKBHJHFGEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O4/c1-16(2)29(17(3)4)25(33)21-14-19(15-22(30)26-20-9-10-20)24(32)28(18(21)5)13-7-12-27-11-6-8-23(27)31/h16-17,19-20H,6-15H2,1-5H3,(H,26,30).

What are the key properties of 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?

3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 51359350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).