methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate

C13H14N4O4 — CID 61017726

IUPACmethyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)c2cccnc2OC)cn1
InChIInChI=1S/C13H14N4O4/c1-20-11(18)8-17-7-9(6-15-17)16-12(19)10-4-3-5-14-13(10)21-2/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyIHPASELTVWACKY-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.71
Rot. Bonds5

About methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate

methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate (PubChem CID 61017726) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
PubChem CID61017726
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Namemethyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)c2cccnc2OC)cn1
InChIInChI=1S/C13H14N4O4/c1-20-11(18)8-17-7-9(6-15-17)16-12(19)10-4-3-5-14-13(10)21-2/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyIHPASELTVWACKY-UHFFFAOYSA-N
XLogP0.71
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017369
methyl 2-[4-[(3-chloro-2-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 99843425
methyl 2-[4-[(3,4-dihydroxybenzoyl)amino]pyrazol-1-yl]acetate
CID 103956596
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437
2-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 97428006
2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
CID 134002839
methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
CID 61017975
methyl 2-[4-[(3-hydroxy-4-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 61018238
methyl 2-[4-[(3-chloro-4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 81422798
N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 114299271

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate (CID 61017726) is methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)c2cccnc2OC)cn1.
What is the InChIKey of methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate?
The InChIKey is IHPASELTVWACKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-20-11(18)8-17-7-9(6-15-17)16-12(19)10-4-3-5-14-13(10)21-2/h3-7H,8H2,1-2H3,(H,16,19).
What are the key properties of methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate?
methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate has a molecular weight of 290.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 61017726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).