N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C24H30N6O2 — CID 56675307

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C24H30N6O2/c1-2-29-13-5-7-19(29)16-25-24(31)30-14-11-18(12-15-30)23-27-22(28-32-23)21-10-9-17-6-3-4-8-20(17)26-21/h3-4,6,8-10,18-19H,2,5,7,11-16H2,1H3,(H,25,31)
InChIKeyCTVXXXLPYWOUHW-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.66
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56675307) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56675307
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C24H30N6O2/c1-2-29-13-5-7-19(29)16-25-24(31)30-14-11-18(12-15-30)23-27-22(28-32-23)21-10-9-17-6-3-4-8-20(17)26-21/h3-4,6,8-10,18-19H,2,5,7,11-16H2,1H3,(H,25,31)
InChIKeyCTVXXXLPYWOUHW-UHFFFAOYSA-N
XLogP3.66
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56675307) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is CTVXXXLPYWOUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-2-29-13-5-7-19(29)16-25-24(31)30-14-11-18(12-15-30)23-27-22(28-32-23)21-10-9-17-6-3-4-8-20(17)26-21/h3-4,6,8-10,18-19H,2,5,7,11-16H2,1H3,(H,25,31).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56675307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).