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

C13H17N5O2 — CID 56826346

IUPAC2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCc1nncn1C(C)C
InChIInChI=1S/C13H17N5O2/c1-9(2)18-8-16-17-11(18)7-15-12(19)10-5-4-6-14-13(10)20-3/h4-6,8-9H,7H2,1-3H3,(H,15,19)
InChIKeyWKVKPDLQYKXVLH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.19
Rot. Bonds5

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

2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 56826346) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID56826346
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCc1nncn1C(C)C
InChIInChI=1S/C13H17N5O2/c1-9(2)18-8-16-17-11(18)7-15-12(19)10-5-4-6-14-13(10)20-3/h4-6,8-9H,7H2,1-3H3,(H,15,19)
InChIKeyWKVKPDLQYKXVLH-UHFFFAOYSA-N
XLogP1.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 56826347
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
4-amino-5-chloro-2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
CID 119878835
N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
2-methoxy-N-[(2S)-2-sulfamoylpropyl]pyridine-3-carboxamide
CID 97253087
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 122322313

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (CID 56826346) is 2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCc1nncn1C(C)C.
What is the InChIKey of 2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is WKVKPDLQYKXVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9(2)18-8-16-17-11(18)7-15-12(19)10-5-4-6-14-13(10)20-3/h4-6,8-9H,7H2,1-3H3,(H,15,19).
What are the key properties of 2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56826346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).