(4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate

C19H15N3O5 — CID 58748201

IUPAC(4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate
SMILESCc1cc(-n2ccccc2=O)ccc1NC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O5/c1-13-12-15(21-11-3-2-4-18(21)23)7-10-17(13)20-19(24)27-16-8-5-14(6-9-16)22(25)26/h2-12H,1H3,(H,20,24)
InChIKeyGTSASOWVYKIYCB-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.67
Rot. Bonds4

About (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate

(4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate (PubChem CID 58748201) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate
PubChem CID58748201
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name(4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate
SMILESCc1cc(-n2ccccc2=O)ccc1NC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O5/c1-13-12-15(21-11-3-2-4-18(21)23)7-10-17(13)20-19(24)27-16-8-5-14(6-9-16)22(25)26/h2-12H,1H3,(H,20,24)
InChIKeyGTSASOWVYKIYCB-UHFFFAOYSA-N
XLogP3.67
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-nitrophenyl) N-(2-pyrrolidin-1-ylphenyl)carbamate
CID 67033509
1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one
CID 174684212
phenyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 12941467
3-chloro-4-[(4-nitrophenoxy)carbonylamino]benzoic acid
CID 143673305
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanamide
CID 3107764
(4-nitrophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 175881228
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 2878056
(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate
CID 140879711
methyl 3-[(4-nitrophenoxy)carbonylamino]benzoate
CID 19081261
N-(2,4-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide
CID 8590909
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate?
The IUPAC name of (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate (CID 58748201) is (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate.
What is the SMILES notation for (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate?
The canonical SMILES for (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate is Cc1cc(-n2ccccc2=O)ccc1NC(=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate?
The InChIKey is GTSASOWVYKIYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-13-12-15(21-11-3-2-4-18(21)23)7-10-17(13)20-19(24)27-16-8-5-14(6-9-16)22(25)26/h2-12H,1H3,(H,20,24).
What are the key properties of (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate?
(4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate has a molecular weight of 365.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate is sourced from PubChem (CID 58748201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).