[2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

C19H17N5O4 — CID 55522760

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(-n2cccn2)nc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H17N5O4/c25-17(23-19(27)21-11-14-5-2-1-3-6-14)13-28-18(26)15-7-8-16(20-12-15)24-10-4-9-22-24/h1-10,12H,11,13H2,(H2,21,23,25,27)
InChIKeyABOSHAQDOWWXRH-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.45
Rot. Bonds6

About [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

[2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate (PubChem CID 55522760) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
PubChem CID55522760
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(-n2cccn2)nc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H17N5O4/c25-17(23-19(27)21-11-14-5-2-1-3-6-14)13-28-18(26)15-7-8-16(20-12-15)24-10-4-9-22-24/h1-10,12H,11,13H2,(H2,21,23,25,27)
InChIKeyABOSHAQDOWWXRH-UHFFFAOYSA-N
XLogP1.45
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522584
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522398
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 18166861
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55521972
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55540936
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646855
(3,5-dimethylphenyl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate
CID 18166859
[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522222
[2-(benzylcarbamoylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4848853
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399330
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499383

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate (CID 55522760) is [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate is O=C(COC(=O)c1ccc(-n2cccn2)nc1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The InChIKey is ABOSHAQDOWWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c25-17(23-19(27)21-11-14-5-2-1-3-6-14)13-28-18(26)15-7-8-16(20-12-15)24-10-4-9-22-24/h1-10,12H,11,13H2,(H2,21,23,25,27).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate has a molecular weight of 379.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 55522760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).