4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C18H17N5O2 — CID 51092029

IUPAC4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C18H17N5O2/c24-17(13-6-8-14(9-7-13)25-11-12-4-5-12)21-18-20-16(22-23-18)15-3-1-2-10-19-15/h1-3,6-10,12H,4-5,11H2,(H2,20,21,22,23,24)
InChIKeyYAONEGVAJQLQHW-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.91
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 51092029) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID51092029
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C18H17N5O2/c24-17(13-6-8-14(9-7-13)25-11-12-4-5-12)21-18-20-16(22-23-18)15-3-1-2-10-19-15/h1-3,6-10,12H,4-5,11H2,(H2,20,21,22,23,24)
InChIKeyYAONEGVAJQLQHW-UHFFFAOYSA-N
XLogP2.91
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxybenzyl)-1-(3-methylbutanoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine
CID 3360319
N-[(3-methoxyphenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 11567821
N-[(4-methoxyphenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 137647696
N-[(2-methoxyphenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 137654557
(9R)-9-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 142411860
11-Oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 142412044
12-Oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,13,15,17,21,23-octaen-19-one
CID 142412072
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone
CID 971729
4-methoxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 1512090
2-(4-Methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3244785
ethyl 2-isobutoxy-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzoate
CID 44570019
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
CID 92042841

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 51092029) is 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is YAONEGVAJQLQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(13-6-8-14(9-7-13)25-11-12-4-5-12)21-18-20-16(22-23-18)15-3-1-2-10-19-15/h1-3,6-10,12H,4-5,11H2,(H2,20,21,22,23,24).
What are the key properties of 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 335.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 51092029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).