N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide

C17H12N4O — CID 47026097

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nnc2ccccn12)c1cccc2ccccc12
InChIInChI=1S/C17H12N4O/c22-16(14-9-5-7-12-6-1-2-8-13(12)14)18-17-20-19-15-10-3-4-11-21(15)17/h1-11H,(H,18,20,22)
InChIKeyXXDKRZXJTWYFMF-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.13
Rot. Bonds2

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

N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide (PubChem CID 47026097) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide
PubChem CID47026097
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nnc2ccccn12)c1cccc2ccccc12
InChIInChI=1S/C17H12N4O/c22-16(14-9-5-7-12-6-1-2-8-13(12)14)18-17-20-19-15-10-3-4-11-21(15)17/h1-11H,(H,18,20,22)
InChIKeyXXDKRZXJTWYFMF-UHFFFAOYSA-N
XLogP3.13
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 38961107
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-indole-2-carboxamide
CID 110474039
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]naphthalene-1-carboxamide
CID 163347337
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 55603958
3-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxamide
CID 86817207
3-anilino-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 167871287
2-quinolin-8-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 51090578
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 55672271
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
1-naphthalen-1-yl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 18144687
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 53204392

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide (CID 47026097) is N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide is O=C(Nc1nnc2ccccn12)c1cccc2ccccc12.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide?
The InChIKey is XXDKRZXJTWYFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-16(14-9-5-7-12-6-1-2-8-13(12)14)18-17-20-19-15-10-3-4-11-21(15)17/h1-11H,(H,18,20,22).
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide?
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 47026097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).