methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate

C20H19N5O3 — CID 68850955

IUPACmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate
SMILESCOC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1cnccn1
InChIInChI=1S/C20H19N5O3/c1-28-20(27)25(18-12-22-10-11-23-18)13-14-6-8-15(9-7-14)19(26)24-17-5-3-2-4-16(17)21/h2-12H,13,21H2,1H3,(H,24,26)
InChIKeyOQYZIEXIANBSMD-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.08
Rot. Bonds5

About methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate

methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate (PubChem CID 68850955) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate.

Molecular Properties

Compound Namemethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate
PubChem CID68850955
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Namemethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate
SMILESCOC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1cnccn1
InChIInChI=1S/C20H19N5O3/c1-28-20(27)25(18-12-22-10-11-23-18)13-14-6-8-15(9-7-14)19(26)24-17-5-3-2-4-16(17)21/h2-12H,13,21H2,1H3,(H,24,26)
InChIKeyOQYZIEXIANBSMD-UHFFFAOYSA-N
XLogP3.08
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyridin-3-ylcarbamate;sulfuric acid
CID 68850450
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(6-methyl-2-pyridinyl)carbamate
CID 68847526
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
N-(2-aminophenyl)-4-[[formyl(pyridin-3-ylmethoxy)amino]methyl]benzamide;hydrochloride
CID 87384192
N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide
CID 87384844
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride
CID 67398267
N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide
CID 87384730
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate?
The IUPAC name of methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate (CID 68850955) is methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate.
What is the SMILES notation for methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate?
The canonical SMILES for methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate is COC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1cnccn1.
What is the InChIKey of methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate?
The InChIKey is OQYZIEXIANBSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-28-20(27)25(18-12-22-10-11-23-18)13-14-6-8-15(9-7-14)19(26)24-17-5-3-2-4-16(17)21/h2-12H,13,21H2,1H3,(H,24,26).
What are the key properties of methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate?
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate has a molecular weight of 377.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate is sourced from PubChem (CID 68850955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).