methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate

C18H19N5O3 — CID 53190542

IUPACmethyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)Nc1cccn2nc(C)nc12)c1ccccc1
InChIInChI=1S/C18H19N5O3/c1-12-19-17-14(9-6-10-23(17)22-12)20-18(25)21-15(11-16(24)26-2)13-7-4-3-5-8-13/h3-10,15H,11H2,1-2H3,(H2,20,21,25)
InChIKeyWNIUIEIXNSYVHI-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.46
Rot. Bonds5

About methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate

methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate (PubChem CID 53190542) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate
PubChem CID53190542
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Namemethyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)Nc1cccn2nc(C)nc12)c1ccccc1
InChIInChI=1S/C18H19N5O3/c1-12-19-17-14(9-6-10-23(17)22-12)20-18(25)21-15(11-16(24)26-2)13-7-4-3-5-8-13/h3-10,15H,11H2,1-2H3,(H2,20,21,25)
InChIKeyWNIUIEIXNSYVHI-UHFFFAOYSA-N
XLogP2.46
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate (CID 53190542) is methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate is COC(=O)CC(NC(=O)Nc1cccn2nc(C)nc12)c1ccccc1.
What is the InChIKey of methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate?
The InChIKey is WNIUIEIXNSYVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-19-17-14(9-6-10-23(17)22-12)20-18(25)21-15(11-16(24)26-2)13-7-4-3-5-8-13/h3-10,15H,11H2,1-2H3,(H2,20,21,25).
What are the key properties of methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate?
methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate has a molecular weight of 353.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 53190542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).