5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C19H26N6O2 — CID 70705504

IUPAC5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C19H26N6O2/c1-23-16(13-24-8-2-3-9-24)21-22-18(23)14-6-10-25(11-7-14)19(27)15-4-5-17(26)20-12-15/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,20,26)
InChIKeyPNWOZDJJVHXIDX-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.12
Rot. Bonds4

About 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70705504) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70705504
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C19H26N6O2/c1-23-16(13-24-8-2-3-9-24)21-22-18(23)14-6-10-25(11-7-14)19(27)15-4-5-17(26)20-12-15/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,20,26)
InChIKeyPNWOZDJJVHXIDX-UHFFFAOYSA-N
XLogP1.12
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56723579
5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72142904
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 91792747
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56722058
6-oxo-N-((7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)-1,6-dihydropyridine-3-carboxamide
CID 119104838
6-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129357746
6-oxo-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129357745
3-[(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)carbonyl]pyridin-2-ol
CID 70780935
(6-Hydroxy-3-pyridyl){3-[1-(methylsulfonyl)-4-piperidyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-D][1,4]diazepin-7-YL}methanone
CID 146048466
(5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide
CID 155700526
5-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 53515011
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 53531204

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70705504) is 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PNWOZDJJVHXIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-23-16(13-24-8-2-3-9-24)21-22-18(23)14-6-10-25(11-7-14)19(27)15-4-5-17(26)20-12-15/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,20,26).
What are the key properties of 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 370.46 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70705504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).