phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline

C29H24N4O4 — CID 167710607

IUPACphenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline
SMILESNc1cccc(Oc2ccccn2)c1.O=C(Nc1cccc(Oc2ccccn2)c1)Oc1ccccc1
InChIInChI=1S/C18H14N2O3.C11H10N2O/c21-18(23-15-8-2-1-3-9-15)20-14-7-6-10-16(13-14)22-17-11-4-5-12-19-17;12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-13H,(H,20,21);1-8H,12H2
InChIKeyZTYGCVJGZQKSRM-UHFFFAOYSA-N
MW492.54 g/mol
LogP6.94
Rot. Bonds6

About phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline

phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline (PubChem CID 167710607) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline.

Molecular Properties

Compound Namephenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline
PubChem CID167710607
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC Namephenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline
SMILESNc1cccc(Oc2ccccn2)c1.O=C(Nc1cccc(Oc2ccccn2)c1)Oc1ccccc1
InChIInChI=1S/C18H14N2O3.C11H10N2O/c21-18(23-15-8-2-1-3-9-15)20-14-7-6-10-16(13-14)22-17-11-4-5-12-19-17;12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-13H,(H,20,21);1-8H,12H2
InChIKeyZTYGCVJGZQKSRM-UHFFFAOYSA-N
XLogP6.94
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-phenyl-N-(3-pyridin-2-yloxyphenyl)acetamide
CID 111540805
pyridin-2-yl N-phenylcarbamate
CID 4689975
N-(3-pyridin-2-yloxyphenyl)formamide
CID 91518983
3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
CID 146128887
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835
(4-methoxyphenyl) N-(3-aminophenyl)carbamate
CID 12941472
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119884858
3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 119884838
4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
CID 122085969
phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate
CID 110726422

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline?
The IUPAC name of phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline (CID 167710607) is phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline.
What is the SMILES notation for phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline?
The canonical SMILES for phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline is Nc1cccc(Oc2ccccn2)c1.O=C(Nc1cccc(Oc2ccccn2)c1)Oc1ccccc1.
What is the InChIKey of phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline?
The InChIKey is ZTYGCVJGZQKSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3.C11H10N2O/c21-18(23-15-8-2-1-3-9-15)20-14-7-6-10-16(13-14)22-17-11-4-5-12-19-17;12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-13H,(H,20,21);1-8H,12H2.
What are the key properties of phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline?
phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline has a molecular weight of 492.54 g/mol, XLogP of 6.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-pyridin-2-yloxyphenyl)carbamate;3-pyridin-2-yloxyaniline is sourced from PubChem (CID 167710607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).