2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

C21H33N3O2 — CID 56854343

IUPAC2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(CC2CCCC2)n(C)c(C)cc1=O
InChIInChI=1S/C21H33N3O2/c1-4-24-11-7-10-17(24)14-22-21(26)20-18(13-16-8-5-6-9-16)23(3)15(2)12-19(20)25/h12,16-17H,4-11,13-14H2,1-3H3,(H,22,26)
InChIKeyZOWAGROABPWOFT-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.64
Rot. Bonds6

About 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 56854343) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID56854343
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(CC2CCCC2)n(C)c(C)cc1=O
InChIInChI=1S/C21H33N3O2/c1-4-24-11-7-10-17(24)14-22-21(26)20-18(13-16-8-5-6-9-16)23(3)15(2)12-19(20)25/h12,16-17H,4-11,13-14H2,1-3H3,(H,22,26)
InChIKeyZOWAGROABPWOFT-UHFFFAOYSA-N
XLogP2.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 56854343) is 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is CCN1CCCC1CNC(=O)c1c(CC2CCCC2)n(C)c(C)cc1=O.
What is the InChIKey of 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is ZOWAGROABPWOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-4-24-11-7-10-17(24)14-22-21(26)20-18(13-16-8-5-6-9-16)23(3)15(2)12-19(20)25/h12,16-17H,4-11,13-14H2,1-3H3,(H,22,26).
What are the key properties of 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 56854343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).