N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

C16H14N4O — CID 166340505

IUPACN-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc3nncn3c2)cc1
InChIInChI=1S/C16H14N4O/c21-16(18-14-6-7-14)12-3-1-11(2-4-12)13-5-8-15-19-17-10-20(15)9-13/h1-5,8-10,14H,6-7H2,(H,18,21)
InChIKeyRPMOAEKFSAKYSM-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.29
Rot. Bonds3

About N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (PubChem CID 166340505) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
PubChem CID166340505
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc3nncn3c2)cc1
InChIInChI=1S/C16H14N4O/c21-16(18-14-6-7-14)12-3-1-11(2-4-12)13-5-8-15-19-17-10-20(15)9-13/h1-5,8-10,14H,6-7H2,(H,18,21)
InChIKeyRPMOAEKFSAKYSM-UHFFFAOYSA-N
XLogP2.29
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182527
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134788032
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 128968690
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97083335
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-(4-aminocyclohexyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 119476017
N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117
N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018
N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136580054
N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide
CID 163306992
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (CID 166340505) is N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is O=C(NC1CC1)c1ccc(-c2ccc3nncn3c2)cc1.
What is the InChIKey of N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The InChIKey is RPMOAEKFSAKYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(18-14-6-7-14)12-3-1-11(2-4-12)13-5-8-15-19-17-10-20(15)9-13/h1-5,8-10,14H,6-7H2,(H,18,21).
What are the key properties of N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide has a molecular weight of 278.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 166340505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).