6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide

C12H15N5O2 — CID 124755292

IUPAC6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ncnn2C)cn1
InChIInChI=1S/C12H15N5O2/c1-8(11-14-7-15-17(11)2)16-12(18)9-4-5-10(19-3)13-6-9/h4-8H,1-3H3,(H,16,18)/t8-/m0/s1
InChIKeyQBDMQJAFHWRULA-QMMMGPOBSA-N
MW261.29 g/mol
LogP0.71
Rot. Bonds4

About 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide

6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 124755292) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID124755292
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ncnn2C)cn1
InChIInChI=1S/C12H15N5O2/c1-8(11-14-7-15-17(11)2)16-12(18)9-4-5-10(19-3)13-6-9/h4-8H,1-3H3,(H,16,18)/t8-/m0/s1
InChIKeyQBDMQJAFHWRULA-QMMMGPOBSA-N
XLogP0.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 129478499
4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126444191
3-(3-aminopropoxy)-4-methoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 125162212
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
2-methoxy-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidine-5-carboxamide
CID 126444842
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide
CID 124749289

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide (CID 124755292) is 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide is COc1ccc(C(=O)N[C@@H](C)c2ncnn2C)cn1.
What is the InChIKey of 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is QBDMQJAFHWRULA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(11-14-7-15-17(11)2)16-12(18)9-4-5-10(19-3)13-6-9/h4-8H,1-3H3,(H,16,18)/t8-/m0/s1.
What are the key properties of 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 124755292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).