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

C20H33N3O2 — CID 42540554

IUPAC2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(CC2CCCC2)n(C)c(C)cc1=O
InChIInChI=1S/C20H33N3O2/c1-5-23(6-2)12-11-21-20(25)19-17(14-16-9-7-8-10-16)22(4)15(3)13-18(19)24/h13,16H,5-12,14H2,1-4H3,(H,21,25)
InChIKeyJBXNAPCBAZZWHO-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.50
Rot. Bonds8

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

2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 42540554) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID42540554
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(CC2CCCC2)n(C)c(C)cc1=O
InChIInChI=1S/C20H33N3O2/c1-5-23(6-2)12-11-21-20(25)19-17(14-16-9-7-8-10-16)22(4)15(3)13-18(19)24/h13,16H,5-12,14H2,1-4H3,(H,21,25)
InChIKeyJBXNAPCBAZZWHO-UHFFFAOYSA-N
XLogP2.50
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 42540554) is 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is CCN(CC)CCNC(=O)c1c(CC2CCCC2)n(C)c(C)cc1=O.
What is the InChIKey of 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is JBXNAPCBAZZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-23(6-2)12-11-21-20(25)19-17(14-16-9-7-8-10-16)22(4)15(3)13-18(19)24/h13,16H,5-12,14H2,1-4H3,(H,21,25).
What are the key properties of 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 42540554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).