3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide

C14H19N5O2 — CID 164634149

IUPAC3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide
SMILESCCn1nncc1C(=O)NCc1ccc([C@H](C)O)c(C)n1
InChIInChI=1S/C14H19N5O2/c1-4-19-13(8-16-18-19)14(21)15-7-11-5-6-12(10(3)20)9(2)17-11/h5-6,8,10,20H,4,7H2,1-3H3,(H,15,21)/t10-/m0/s1
InChIKeyIKSBQVDTACOTNG-JTQLQIEISA-N
MW289.34 g/mol
LogP0.98
Rot. Bonds5

About 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide

3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide (PubChem CID 164634149) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide
PubChem CID164634149
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide
SMILESCCn1nncc1C(=O)NCc1ccc([C@H](C)O)c(C)n1
InChIInChI=1S/C14H19N5O2/c1-4-19-13(8-16-18-19)14(21)15-7-11-5-6-12(10(3)20)9(2)17-11/h5-6,8,10,20H,4,7H2,1-3H3,(H,15,21)/t10-/m0/s1
InChIKeyIKSBQVDTACOTNG-JTQLQIEISA-N
XLogP0.98
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide
CID 128518247
N-(cyanomethyl)-3-ethyltriazole-4-carboxamide
CID 130991623
4-(3-ethyltriazol-4-yl)-4-oxobutanoic acid
CID 84733430
4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62308582
(2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 128982480
N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 97258163
1-(3-ethyltriazol-4-yl)-2,2-dimethylpropan-1-one
CID 126974247
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 38006616
dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate
CID 70106482
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72864861
3-ethyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 138995809
(E)-1-(3-ethyltriazol-4-yl)but-2-en-1-one
CID 130484243

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide (CID 164634149) is 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide is CCn1nncc1C(=O)NCc1ccc([C@H](C)O)c(C)n1.
What is the InChIKey of 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide?
The InChIKey is IKSBQVDTACOTNG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-19-13(8-16-18-19)14(21)15-7-11-5-6-12(10(3)20)9(2)17-11/h5-6,8,10,20H,4,7H2,1-3H3,(H,15,21)/t10-/m0/s1.
What are the key properties of 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide?
3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 164634149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).