2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide

C21H31N5O3 — CID 126465868

IUPAC2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide
SMILESCc1nonc1CNC(=O)c1c(CC2CCCC2)n(CCN(C)C)c(C)cc1=O
InChIInChI=1S/C21H31N5O3/c1-14-11-19(27)20(21(28)22-13-17-15(2)23-29-24-17)18(12-16-7-5-6-8-16)26(14)10-9-25(3)4/h11,16H,5-10,12-13H2,1-4H3,(H,22,28)
InChIKeyIEOANJBWENORPZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.07
Rot. Bonds8

About 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide

2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide (PubChem CID 126465868) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide
PubChem CID126465868
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide
SMILESCc1nonc1CNC(=O)c1c(CC2CCCC2)n(CCN(C)C)c(C)cc1=O
InChIInChI=1S/C21H31N5O3/c1-14-11-19(27)20(21(28)22-13-17-15(2)23-29-24-17)18(12-16-7-5-6-8-16)26(14)10-9-25(3)4/h11,16H,5-10,12-13H2,1-4H3,(H,22,28)
InChIKeyIEOANJBWENORPZ-UHFFFAOYSA-N
XLogP2.07
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide (CID 126465868) is 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide is Cc1nonc1CNC(=O)c1c(CC2CCCC2)n(CCN(C)C)c(C)cc1=O.
What is the InChIKey of 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide?
The InChIKey is IEOANJBWENORPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-14-11-19(27)20(21(28)22-13-17-15(2)23-29-24-17)18(12-16-7-5-6-8-16)26(14)10-9-25(3)4/h11,16H,5-10,12-13H2,1-4H3,(H,22,28).
What are the key properties of 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide?
2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 126465868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).