3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide

C21H28N6O3 — CID 110085653

IUPAC3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCc1nonc1CNC(=O)C1(C)CCCN(C(=O)c2ccnc(N3CCCC3)c2)C1
InChIInChI=1S/C21H28N6O3/c1-15-17(25-30-24-15)13-23-20(29)21(2)7-5-11-27(14-21)19(28)16-6-8-22-18(12-16)26-9-3-4-10-26/h6,8,12H,3-5,7,9-11,13-14H2,1-2H3,(H,23,29)
InChIKeyXTIKWKBBOAOVBK-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.93
Rot. Bonds5

About 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide

3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 110085653) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID110085653
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCc1nonc1CNC(=O)C1(C)CCCN(C(=O)c2ccnc(N3CCCC3)c2)C1
InChIInChI=1S/C21H28N6O3/c1-15-17(25-30-24-15)13-23-20(29)21(2)7-5-11-27(14-21)19(28)16-6-8-22-18(12-16)26-9-3-4-10-26/h6,8,12H,3-5,7,9-11,13-14H2,1-2H3,(H,23,29)
InChIKeyXTIKWKBBOAOVBK-UHFFFAOYSA-N
XLogP1.93
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 124948732
3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 110085702
(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide
CID 95087546
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 95087648
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide
CID 124970421
[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 70773679
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide (CID 110085653) is 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide is Cc1nonc1CNC(=O)C1(C)CCCN(C(=O)c2ccnc(N3CCCC3)c2)C1.
What is the InChIKey of 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is XTIKWKBBOAOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-15-17(25-30-24-15)13-23-20(29)21(2)7-5-11-27(14-21)19(28)16-6-8-22-18(12-16)26-9-3-4-10-26/h6,8,12H,3-5,7,9-11,13-14H2,1-2H3,(H,23,29).
What are the key properties of 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide?
3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110085653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).