N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C21H18N4O4 — CID 16796852

IUPACN-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])ccc21
InChIInChI=1S/C21H18N4O4/c1-2-24-17-7-4-3-6-15(17)16-12-14(9-10-18(16)24)23-20(26)13-29-19-8-5-11-22-21(19)25(27)28/h3-12H,2,13H2,1H3,(H,23,26)
InChIKeyLMGMCKIKNIOWCB-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.14
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 16796852) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID16796852
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])ccc21
InChIInChI=1S/C21H18N4O4/c1-2-24-17-7-4-3-6-15(17)16-12-14(9-10-18(16)24)23-20(26)13-29-19-8-5-11-22-21(19)25(27)28/h3-12H,2,13H2,1H3,(H,23,26)
InChIKeyLMGMCKIKNIOWCB-UHFFFAOYSA-N
XLogP4.14
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.14
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

N-(9-ethylcarbazol-3-yl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861837
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036
N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8893390
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 3347612
N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 16959110
N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
CID 16959114
N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3107349
N-(9-ethylcarbazol-3-yl)-3-quinolin-7-yloxypropanamide
CID 10201571
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 3473107

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 16796852) is N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is CCn1c2ccccc2c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is LMGMCKIKNIOWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-2-24-17-7-4-3-6-15(17)16-12-14(9-10-18(16)24)23-20(26)13-29-19-8-5-11-22-21(19)25(27)28/h3-12H,2,13H2,1H3,(H,23,26).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 390.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 16796852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).