N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19N5O5 — CID 167905407

IUPACN-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(NC(=O)CN(C)C(=O)c2c[nH]n3c(=O)ccnc23)cc(OC)c1
InChIInChI=1S/C18H19N5O5/c1-22(18(26)14-9-20-23-16(25)4-5-19-17(14)23)10-15(24)21-11-6-12(27-2)8-13(7-11)28-3/h4-9,20H,10H2,1-3H3,(H,21,24)
InChIKeyIRMLVSBGGOBKTA-UHFFFAOYSA-N
MW385.38 g/mol
LogP0.75
Rot. Bonds6

About N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167905407) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167905407
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC NameN-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(NC(=O)CN(C)C(=O)c2c[nH]n3c(=O)ccnc23)cc(OC)c1
InChIInChI=1S/C18H19N5O5/c1-22(18(26)14-9-20-23-16(25)4-5-19-17(14)23)10-15(24)21-11-6-12(27-2)8-13(7-11)28-3/h4-9,20H,10H2,1-3H3,(H,21,24)
InChIKeyIRMLVSBGGOBKTA-UHFFFAOYSA-N
XLogP0.75
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide
CID 166382736
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
CID 9438354
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 46589826
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 18112340
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 47005438
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
4-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]-methylamino]butanoic acid
CID 119994299

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167905407) is N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(NC(=O)CN(C)C(=O)c2c[nH]n3c(=O)ccnc23)cc(OC)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IRMLVSBGGOBKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-22(18(26)14-9-20-23-16(25)4-5-19-17(14)23)10-15(24)21-11-6-12(27-2)8-13(7-11)28-3/h4-9,20H,10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167905407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).