[(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate

C13H10ClN3O2 — CID 5341017

IUPAC[(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O/N=C\c1ccncc1
InChIInChI=1S/C13H10ClN3O2/c14-11-2-1-3-12(8-11)17-13(18)19-16-9-10-4-6-15-7-5-10/h1-9H,(H,17,18)/b16-9-
InChIKeyXDATUDCLYAAVOQ-SXGWCWSVSA-N
MW275.70 g/mol
LogP3.32
Rot. Bonds3

About [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate

[(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate (PubChem CID 5341017) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate
PubChem CID5341017
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name[(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O/N=C\c1ccncc1
InChIInChI=1S/C13H10ClN3O2/c14-11-2-1-3-12(8-11)17-13(18)19-16-9-10-4-6-15-7-5-10/h1-9H,(H,17,18)/b16-9-
InChIKeyXDATUDCLYAAVOQ-SXGWCWSVSA-N
XLogP3.32
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Chlorophenyl)-3-(3-pyridylmethyl)urea
CID 3676263
4-chloro-N-(pyridin-3-ylmethyl)aniline
CID 2804545
1-(2-Chlorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4426513
1-(3-Chlorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 836690
1-(3-Chloro-4-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4143687
1-(3-Chloro-4-methylphenyl)-3-pyridin-3-ylurea
CID 2815694
1-(3-Chlorophenyl)-3-pyridin-3-ylurea
CID 898797
1-(5-Chloro-2-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 307542
(E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 676085
1-(3,4-Dichlorophenyl)-3-(2-pyridin-4-ylethyl)urea
CID 975848
1-(3-Chloro-2-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 6469050
3-(3-Chlorophenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea
CID 1856556

Frequently Asked Questions

What is the IUPAC name of [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate?
The IUPAC name of [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate (CID 5341017) is [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)O/N=C\c1ccncc1.
What is the InChIKey of [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate?
The InChIKey is XDATUDCLYAAVOQ-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-11-2-1-3-12(8-11)17-13(18)19-16-9-10-4-6-15-7-5-10/h1-9H,(H,17,18)/b16-9-.
What are the key properties of [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate?
[(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate has a molecular weight of 275.70 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pyridin-4-ylmethylideneamino] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 5341017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).