N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H22N6O3 — CID 4842309

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1nc2nc(C)ccn2n1
InChIInChI=1S/C19H22N6O3/c1-4-10-24(12-16(26)21-14-7-5-6-8-15(14)28-3)18(27)17-22-19-20-13(2)9-11-25(19)23-17/h5-9,11H,4,10,12H2,1-3H3,(H,21,26)
InChIKeyKRPJCJPAZYUYFD-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.93
Rot. Bonds7

About N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4842309) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4842309
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1nc2nc(C)ccn2n1
InChIInChI=1S/C19H22N6O3/c1-4-10-24(12-16(26)21-14-7-5-6-8-15(14)28-3)18(27)17-22-19-20-13(2)9-11-25(19)23-17/h5-9,11H,4,10,12H2,1-3H3,(H,21,26)
InChIKeyKRPJCJPAZYUYFD-UHFFFAOYSA-N
XLogP1.93
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 4842309) is N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1nc2nc(C)ccn2n1.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KRPJCJPAZYUYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-4-10-24(12-16(26)21-14-7-5-6-8-15(14)28-3)18(27)17-22-19-20-13(2)9-11-25(19)23-17/h5-9,11H,4,10,12H2,1-3H3,(H,21,26).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4842309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).