1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate

C14H14N4O4 — CID 175390185

IUPAC1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate
SMILESCC(OC(N)=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H14N4O4/c1-9(22-14(15)19)10-2-4-11(5-3-10)17-13-7-6-12(8-16-13)18(20)21/h2-9H,1H3,(H2,15,19)(H,16,17)
InChIKeyZAVAVNHHZIDVQF-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate

1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate (PubChem CID 175390185) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate.

Molecular Properties

Compound Name1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate
PubChem CID175390185
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate
SMILESCC(OC(N)=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H14N4O4/c1-9(22-14(15)19)10-2-4-11(5-3-10)17-13-7-6-12(8-16-13)18(20)21/h2-9H,1H3,(H2,15,19)(H,16,17)
InChIKeyZAVAVNHHZIDVQF-UHFFFAOYSA-N
XLogP2.89
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
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

[(1S)-1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl] N-tert-butylcarbamate
CID 175390180
methyl (2S)-2-[4-[(5-nitro-2-pyridinyl)amino]phenyl]propanoate
CID 125466945
4-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2842438
N-(4-fluorophenyl)-5-nitropyridin-2-amine
CID 3146297
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 47235500
[(1S)-1-[4-(4-nitroanilino)phenyl]ethyl] N-tert-butylcarbamate
CID 175390173
3-[(5-nitro-2-pyridinyl)amino]butanamide
CID 115647561
(2S)-2-amino-3-[4-[4-[(5-nitro-2-pyridinyl)amino]phenoxy]phenyl]propanoic acid;dihydrochloride
CID 68906740
3-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2858481
6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide
CID 71072352
N-[4-(1-adamantyl)phenyl]-5-nitropyridin-2-amine
CID 4764010

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate?
The IUPAC name of 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate (CID 175390185) is 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate.
What is the SMILES notation for 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate?
The canonical SMILES for 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate is CC(OC(N)=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate?
The InChIKey is ZAVAVNHHZIDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-9(22-14(15)19)10-2-4-11(5-3-10)17-13-7-6-12(8-16-13)18(20)21/h2-9H,1H3,(H2,15,19)(H,16,17).
What are the key properties of 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate?
1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate has a molecular weight of 302.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate is sourced from PubChem (CID 175390185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).