2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide

C16H22N6O2 — CID 95219558

IUPAC2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCCn1c([C@@H]2CCCN(c3ncccc3C(N)=O)C2)nn(C)c1=O
InChIInChI=1S/C16H22N6O2/c1-3-22-14(19-20(2)16(22)24)11-6-5-9-21(10-11)15-12(13(17)23)7-4-8-18-15/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,17,23)/t11-/m1/s1
InChIKeyQXMFDCXGVCJUDF-LLVKDONJSA-N
MW330.39 g/mol
LogP0.48
Rot. Bonds4

About 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide

2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 95219558) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID95219558
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCCn1c([C@@H]2CCCN(c3ncccc3C(N)=O)C2)nn(C)c1=O
InChIInChI=1S/C16H22N6O2/c1-3-22-14(19-20(2)16(22)24)11-6-5-9-21(10-11)15-12(13(17)23)7-4-8-18-15/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,17,23)/t11-/m1/s1
InChIKeyQXMFDCXGVCJUDF-LLVKDONJSA-N
XLogP0.48
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56753977
2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 97202523
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72905841
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one
CID 95221633
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 113243984
2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 97188833
4-ethyl-5-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56755310
ethyl 2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 97351945

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 95219558) is 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide is CCn1c([C@@H]2CCCN(c3ncccc3C(N)=O)C2)nn(C)c1=O.
What is the InChIKey of 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is QXMFDCXGVCJUDF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-22-14(19-20(2)16(22)24)11-6-5-9-21(10-11)15-12(13(17)23)7-4-8-18-15/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,17,23)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95219558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).