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

C21H33N3O2 — CID 126465269

IUPAC2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCC2CCCN2C)c(CC2CCCC2)n1C
InChIInChI=1S/C21H33N3O2/c1-15-13-19(25)20(18(24(15)3)14-16-7-4-5-8-16)21(26)22-11-10-17-9-6-12-23(17)2/h13,16-17H,4-12,14H2,1-3H3,(H,22,26)
InChIKeyBYVYZCPKENYDTR-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.64
Rot. Bonds6

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

2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide (PubChem CID 126465269) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide
PubChem CID126465269
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCC2CCCN2C)c(CC2CCCC2)n1C
InChIInChI=1S/C21H33N3O2/c1-15-13-19(25)20(18(24(15)3)14-16-7-4-5-8-16)21(26)22-11-10-17-9-6-12-23(17)2/h13,16-17H,4-12,14H2,1-3H3,(H,22,26)
InChIKeyBYVYZCPKENYDTR-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)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide (CID 126465269) is 2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCC2CCCN2C)c(CC2CCCC2)n1C.
What is the InChIKey of 2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide?
The InChIKey is BYVYZCPKENYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-15-13-19(25)20(18(24(15)3)14-16-7-4-5-8-16)21(26)22-11-10-17-9-6-12-23(17)2/h13,16-17H,4-12,14H2,1-3H3,(H,22,26).
What are the key properties of 2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide?
2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-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)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 126465269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).