N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide

C17H22N6O3 — CID 56711997

IUPACN-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(n3cc(C(=O)NCCO)nn3)CC2)n1
InChIInChI=1S/C17H22N6O3/c1-12-3-2-4-14(19-12)17(26)22-8-5-13(6-9-22)23-11-15(20-21-23)16(25)18-7-10-24/h2-4,11,13,24H,5-10H2,1H3,(H,18,25)
InChIKeyLASWXXHDSUUMLY-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.18
Rot. Bonds5

About N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide

N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 56711997) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID56711997
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(n3cc(C(=O)NCCO)nn3)CC2)n1
InChIInChI=1S/C17H22N6O3/c1-12-3-2-4-14(19-12)17(26)22-8-5-13(6-9-22)23-11-15(20-21-23)16(25)18-7-10-24/h2-4,11,13,24H,5-10H2,1H3,(H,18,25)
InChIKeyLASWXXHDSUUMLY-UHFFFAOYSA-N
XLogP0.18
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510
N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26404892
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide
CID 29258547
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
N-(2-methoxyethyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095409
N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283426
1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249
N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide
CID 171348403
N-(3-methoxypropyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095410

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide (CID 56711997) is N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide is Cc1cccc(C(=O)N2CCC(n3cc(C(=O)NCCO)nn3)CC2)n1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is LASWXXHDSUUMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-12-3-2-4-14(19-12)17(26)22-8-5-13(6-9-22)23-11-15(20-21-23)16(25)18-7-10-24/h2-4,11,13,24H,5-10H2,1H3,(H,18,25).
What are the key properties of N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide?
N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 56711997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).