6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide

C14H9N5O4 — CID 21241436

IUPAC6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide
SMILESO=C(Nc1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C14H9N5O4/c20-13-9-7-8(19(22)23)4-5-10(9)17-18-12(13)14(21)16-11-3-1-2-6-15-11/h1-7H,(H,17,20)(H,15,16,21)
InChIKeyRHGXAVPBDLHFKJ-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.48
Rot. Bonds3

About 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide

6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide (PubChem CID 21241436) has the molecular formula C14H9N5O4 and a molecular weight of 311.26 g/mol. Its IUPAC name is 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound Name6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide
PubChem CID21241436
Molecular FormulaC14H9N5O4
Molecular Weight311.26 g/mol
Exact Mass311.07
IUPAC Name6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide
SMILESO=C(Nc1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C14H9N5O4/c20-13-9-7-8(19(22)23)4-5-10(9)17-18-12(13)14(21)16-11-3-1-2-6-15-11/h1-7H,(H,17,20)(H,15,16,21)
InChIKeyRHGXAVPBDLHFKJ-UHFFFAOYSA-N
XLogP1.48
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.48
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

6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
CID 21241476
5-amino-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 54944801
5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 10358473
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086
N-(3-chlorophenyl)-5-nitro-1H-indazole-3-carboxamide
CID 35374426
3-bromo-6-nitro-1H-cinnolin-4-one
CID 20505029
5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
CID 60516598
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide
CID 55993552
N-(1-tert-butylbenzimidazol-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 56510222
(5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate
CID 68849329
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide
CID 71907763

Frequently Asked Questions

What is the IUPAC name of 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide?
The IUPAC name of 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide (CID 21241436) is 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide.
What is the SMILES notation for 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide?
The canonical SMILES for 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide is O=C(Nc1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc2c1=O.
What is the InChIKey of 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide?
The InChIKey is RHGXAVPBDLHFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O4/c20-13-9-7-8(19(22)23)4-5-10(9)17-18-12(13)14(21)16-11-3-1-2-6-15-11/h1-7H,(H,17,20)(H,15,16,21).
What are the key properties of 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide?
6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide has a molecular weight of 311.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 21241436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).