4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide

C13H14N4O4 — CID 47083217

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccn[nH]2)ccc1OCC(N)=O
InChIInChI=1S/C13H14N4O4/c1-20-10-6-8(2-3-9(10)21-7-11(14)18)13(19)16-12-4-5-15-17-12/h2-6H,7H2,1H3,(H2,14,18)(H2,15,16,17,19)
InChIKeyWWXALFHBDZRHHU-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.53
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 47083217) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide
PubChem CID47083217
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccn[nH]2)ccc1OCC(N)=O
InChIInChI=1S/C13H14N4O4/c1-20-10-6-8(2-3-9(10)21-7-11(14)18)13(19)16-12-4-5-15-17-12/h2-6H,7H2,1H3,(H2,14,18)(H2,15,16,17,19)
InChIKeyWWXALFHBDZRHHU-UHFFFAOYSA-N
XLogP0.53
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 69002184
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 17481283
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24597199
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945160
3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103956763

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide (CID 47083217) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide is COc1cc(C(=O)Nc2ccn[nH]2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is WWXALFHBDZRHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-20-10-6-8(2-3-9(10)21-7-11(14)18)13(19)16-12-4-5-15-17-12/h2-6H,7H2,1H3,(H2,14,18)(H2,15,16,17,19).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide?
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 290.28 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 47083217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).