2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

C26H42N4O3 — CID 42499368

IUPAC2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(CC2CCCC2)n(CCCN2CCCC2=O)c(C)cc1=O
InChIInChI=1S/C26H42N4O3/c1-4-28(5-2)17-13-27-26(33)25-22(19-21-10-6-7-11-21)30(20(3)18-23(25)31)16-9-15-29-14-8-12-24(29)32/h18,21H,4-17,19H2,1-3H3,(H,27,33)
InChIKeyDLBBIVUQOVHKBZ-UHFFFAOYSA-N
MW458.65 g/mol
LogP2.97
Rot. Bonds12

About 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 42499368) has the molecular formula C26H42N4O3 and a molecular weight of 458.65 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID42499368
Molecular FormulaC26H42N4O3
Molecular Weight458.65 g/mol
Exact Mass458.33
IUPAC Name2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(CC2CCCC2)n(CCCN2CCCC2=O)c(C)cc1=O
InChIInChI=1S/C26H42N4O3/c1-4-28(5-2)17-13-27-26(33)25-22(19-21-10-6-7-11-21)30(20(3)18-23(25)31)16-9-15-29-14-8-12-24(29)32/h18,21H,4-17,19H2,1-3H3,(H,27,33)
InChIKeyDLBBIVUQOVHKBZ-UHFFFAOYSA-N
XLogP2.97
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (CID 42499368) is 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is CCN(CC)CCNC(=O)c1c(CC2CCCC2)n(CCCN2CCCC2=O)c(C)cc1=O.
What is the InChIKey of 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is DLBBIVUQOVHKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O3/c1-4-28(5-2)17-13-27-26(33)25-22(19-21-10-6-7-11-21)30(20(3)18-23(25)31)16-9-15-29-14-8-12-24(29)32/h18,21H,4-17,19H2,1-3H3,(H,27,33).
What are the key properties of 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 458.65 g/mol, XLogP of 2.97, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 42499368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).