methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C18H16N4O3 — CID 110455268

IUPACmethyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(NC(=O)C3(c4ccccc4)CC3)nn12
InChIInChI=1S/C18H16N4O3/c1-25-15(23)13-8-5-9-14-19-17(21-22(13)14)20-16(24)18(10-11-18)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,20,21,24)
InChIKeyIOOUHIRSIDJFMN-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 110455268) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID110455268
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Namemethyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(NC(=O)C3(c4ccccc4)CC3)nn12
InChIInChI=1S/C18H16N4O3/c1-25-15(23)13-8-5-9-14-19-17(21-22(13)14)20-16(24)18(10-11-18)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,20,21,24)
InChIKeyIOOUHIRSIDJFMN-UHFFFAOYSA-N
XLogP2.19
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate with MolForge

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Related Compounds

2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 110455263
methyl 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82567386
N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide
CID 110455570
methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257645
N-(4-methoxynaphthalen-1-yl)-1-phenylcyclopropane-1-carboxamide
CID 100782309
methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117131974
N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 99792370
methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
CID 116989438
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 110455566
methyl 2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132105
N-(5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-phenoxyacetamide
CID 110455629

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 110455268) is methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(NC(=O)C3(c4ccccc4)CC3)nn12.
What is the InChIKey of methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is IOOUHIRSIDJFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-15(23)13-8-5-9-14-19-17(21-22(13)14)20-16(24)18(10-11-18)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,20,21,24).
What are the key properties of methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-phenylcyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 110455268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).