[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate

C20H17N3O3 — CID 8634406

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cn1
InChIInChI=1S/C20H17N3O3/c1-14-11-22-18(12-21-14)20(25)26-13-15-7-9-16(10-8-15)19(24)23-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyNYFKTQQEGRTCFV-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.39
Rot. Bonds5

About [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate

[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate (PubChem CID 8634406) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
PubChem CID8634406
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cn1
InChIInChI=1S/C20H17N3O3/c1-14-11-22-18(12-21-14)20(25)26-13-15-7-9-16(10-8-15)19(24)23-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyNYFKTQQEGRTCFV-UHFFFAOYSA-N
XLogP3.39
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
[4-(phenylcarbamoyl)phenyl]methyl 6-chloropyridine-3-carboxylate
CID 8017399
[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576074
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 32970535
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
CID 7950061
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
[4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629616
[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
CID 7665240
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate
CID 46428826
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
[4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194920

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate (CID 8634406) is [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cn1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate?
The InChIKey is NYFKTQQEGRTCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14-11-22-18(12-21-14)20(25)26-13-15-7-9-16(10-8-15)19(24)23-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate?
[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 8634406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).