N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide

C15H17N5O3 — CID 71806466

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(C)nn2)ccc1N1CCCC1=O
InChIInChI=1S/C15H17N5O3/c1-19-9-11(17-18-19)15(22)16-10-5-6-12(13(8-10)23-2)20-7-3-4-14(20)21/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,22)
InChIKeyILBLVCFJFYZHGX-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.20
Rot. Bonds4

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide (PubChem CID 71806466) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide
PubChem CID71806466
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(C)nn2)ccc1N1CCCC1=O
InChIInChI=1S/C15H17N5O3/c1-19-9-11(17-18-19)15(22)16-10-5-6-12(13(8-10)23-2)20-7-3-4-14(20)21/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,22)
InChIKeyILBLVCFJFYZHGX-UHFFFAOYSA-N
XLogP1.20
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
2,4-dimethoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686728
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide (CID 71806466) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide is COc1cc(NC(=O)c2cn(C)nn2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide?
The InChIKey is ILBLVCFJFYZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-19-9-11(17-18-19)15(22)16-10-5-6-12(13(8-10)23-2)20-7-3-4-14(20)21/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,22).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 71806466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).