3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide

C23H36N4O4 — CID 46904930

IUPAC3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NC2CCCC2)C(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C23H36N4O4/c1-16-19(23(31)25(2)3)14-17(15-20(28)24-18-8-4-5-9-18)22(30)27(16)13-7-12-26-11-6-10-21(26)29/h17-18H,4-15H2,1-3H3,(H,24,28)
InChIKeyIHZWBVPHRKRJPG-UHFFFAOYSA-N
MW432.57 g/mol
LogP1.66
Rot. Bonds8

About 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide

3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904930) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
PubChem CID46904930
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Name3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NC2CCCC2)C(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C23H36N4O4/c1-16-19(23(31)25(2)3)14-17(15-20(28)24-18-8-4-5-9-18)22(30)27(16)13-7-12-26-11-6-10-21(26)29/h17-18H,4-15H2,1-3H3,(H,24,28)
InChIKeyIHZWBVPHRKRJPG-UHFFFAOYSA-N
XLogP1.66
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide (CID 46904930) is 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C)C)CC(CC(=O)NC2CCCC2)C(=O)N1CCCN1CCCC1=O.
What is the InChIKey of 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
The InChIKey is IHZWBVPHRKRJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-16-19(23(31)25(2)3)14-17(15-20(28)24-18-8-4-5-9-18)22(30)27(16)13-7-12-26-11-6-10-21(26)29/h17-18H,4-15H2,1-3H3,(H,24,28).
What are the key properties of 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).