9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine

C19H16N4O2 — CID 18766601

IUPAC9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine
SMILESCCn1c2ccccc2c2cccc(Nc3ncccc3[N+](=O)[O-])c21
InChIInChI=1S/C19H16N4O2/c1-2-22-16-10-4-3-7-13(16)14-8-5-9-15(18(14)22)21-19-17(23(24)25)11-6-12-20-19/h3-12H,2H2,1H3,(H,20,21)
InChIKeyVKYFYXAOGZAWEP-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.86
Rot. Bonds4

About 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine

9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine (PubChem CID 18766601) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine.

Molecular Properties

Compound Name9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine
PubChem CID18766601
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine
SMILESCCn1c2ccccc2c2cccc(Nc3ncccc3[N+](=O)[O-])c21
InChIInChI=1S/C19H16N4O2/c1-2-22-16-10-4-3-7-13(16)14-8-5-9-15(18(14)22)21-19-17(23(24)25)11-6-12-20-19/h3-12H,2H2,1H3,(H,20,21)
InChIKeyVKYFYXAOGZAWEP-UHFFFAOYSA-N
XLogP4.86
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-N-(9-ethylcarbazol-1-yl)pyridine-2,3-diamine
CID 18766604
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
3-[(3-nitro-2-pyridinyl)amino]-2-phenylbenzaldehyde
CID 88643270
N-methyl-3-nitropyridin-2-amine
CID 556349
N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine
CID 133327275
(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 13388386
N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 16796852
3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 146173085
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733
N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
CID 47059552
N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
CID 40677036
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26737786

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine?
The IUPAC name of 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine (CID 18766601) is 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine.
What is the SMILES notation for 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine?
The canonical SMILES for 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine is CCn1c2ccccc2c2cccc(Nc3ncccc3[N+](=O)[O-])c21.
What is the InChIKey of 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine?
The InChIKey is VKYFYXAOGZAWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-2-22-16-10-4-3-7-13(16)14-8-5-9-15(18(14)22)21-19-17(23(24)25)11-6-12-20-19/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine?
9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine has a molecular weight of 332.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine is sourced from PubChem (CID 18766601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).