N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C21H20N6O2 — CID 17431167

IUPACN,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)CC(=O)Nc3cccc4ccccc34)nc2n1
InChIInChI=1S/C21H20N6O2/c1-13-11-14(2)27-21(22-13)24-19(25-27)20(29)26(3)12-18(28)23-17-10-6-8-15-7-4-5-9-16(15)17/h4-11H,12H2,1-3H3,(H,23,28)
InChIKeyNYSINQPAODUILB-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.61
Rot. Bonds4

About N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17431167) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID17431167
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)CC(=O)Nc3cccc4ccccc34)nc2n1
InChIInChI=1S/C21H20N6O2/c1-13-11-14(2)27-21(22-13)24-19(25-27)20(29)26(3)12-18(28)23-17-10-6-8-15-7-4-5-9-16(15)17/h4-11H,12H2,1-3H3,(H,23,28)
InChIKeyNYSINQPAODUILB-UHFFFAOYSA-N
XLogP2.61
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17393839
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 4821778
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 24982865
methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-methylamino]butanoate
CID 39491200
4-chloro-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9463211
[2-oxo-2-(2-phenoxyanilino)ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2462455
N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26786460
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 7940407
N-(2,3-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26736872
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395
5,7-dimethyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34732747

Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 17431167) is N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(C)CC(=O)Nc3cccc4ccccc34)nc2n1.
What is the InChIKey of N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NYSINQPAODUILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-11-14(2)27-21(22-13)24-19(25-27)20(29)26(3)12-18(28)23-17-10-6-8-15-7-4-5-9-16(15)17/h4-11H,12H2,1-3H3,(H,23,28).
What are the key properties of N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17431167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).