2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide

C13H18N4O — CID 53204403

IUPAC2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
SMILESCCCCC(C)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C13H18N4O/c1-3-4-7-10(2)12(18)14-13-16-15-11-8-5-6-9-17(11)13/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,16,18)
InChIKeyGIVKYNHNUXLTGK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.49
Rot. Bonds5

About 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide

2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide (PubChem CID 53204403) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide.

Molecular Properties

Compound Name2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
PubChem CID53204403
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
SMILESCCCCC(C)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C13H18N4O/c1-3-4-7-10(2)12(18)14-13-16-15-11-8-5-6-9-17(11)13/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,16,18)
InChIKeyGIVKYNHNUXLTGK-UHFFFAOYSA-N
XLogP2.49
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 53204392
ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate
CID 110471107
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
CID 51887428
4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
CID 119856894
N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide
CID 51079271
5-propan-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 155912764
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
(2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide
CID 95629165
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide
CID 47026097
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 171910069
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95774144

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide?
The IUPAC name of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide (CID 53204403) is 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide.
What is the SMILES notation for 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide?
The canonical SMILES for 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide is CCCCC(C)C(=O)Nc1nnc2ccccn12.
What is the InChIKey of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide?
The InChIKey is GIVKYNHNUXLTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-4-7-10(2)12(18)14-13-16-15-11-8-5-6-9-17(11)13/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,16,18).
What are the key properties of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide?
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide has a molecular weight of 246.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide is sourced from PubChem (CID 53204403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).