methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine

C21H22N4O3 — CID 174424077

IUPACmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
SMILESCOC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1.c1ccncc1
InChIInChI=1S/C16H17N3O3.C5H5N/c1-22-16(21)18-10-11-6-8-12(9-7-11)15(20)19-14-5-3-2-4-13(14)17;1-2-4-6-5-3-1/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20);1-5H
InChIKeyPFAOQMYEHQYDCI-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.46
Rot. Bonds4

About methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine

methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine (PubChem CID 174424077) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine.

Molecular Properties

Compound Namemethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
PubChem CID174424077
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Namemethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
SMILESCOC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1.c1ccncc1
InChIInChI=1S/C16H17N3O3.C5H5N/c1-22-16(21)18-10-11-6-8-12(9-7-11)15(20)19-14-5-3-2-4-13(14)17;1-2-4-6-5-3-1/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20);1-5H
InChIKeyPFAOQMYEHQYDCI-UHFFFAOYSA-N
XLogP3.46
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
phosphoric acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67397836
but-2-enedioic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67399081
(Z)-but-2-enedioic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67401386
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
(4-imidazol-1-ylphenyl)methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 11744015
(4-methylpiperazin-1-yl)methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 22668103
N'-hydroxy-N-phenyloctanediamide;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 42601430
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
pyridin-3-ylmethyl N-[[4-[(2-amino-4-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 10572471
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine?
The IUPAC name of methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine (CID 174424077) is methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine.
What is the SMILES notation for methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine?
The canonical SMILES for methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine is COC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1.c1ccncc1.
What is the InChIKey of methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine?
The InChIKey is PFAOQMYEHQYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3.C5H5N/c1-22-16(21)18-10-11-6-8-12(9-7-11)15(20)19-14-5-3-2-4-13(14)17;1-2-4-6-5-3-1/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20);1-5H.
What are the key properties of methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine?
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine has a molecular weight of 378.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine is sourced from PubChem (CID 174424077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).