N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C16H14N6O3 — CID 121027748

IUPACN-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H14N6O3/c17-10-11-9-12(22(24)25)3-4-13(11)18-16(23)14-5-6-15(20-19-14)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,18,23)
InChIKeyHBQFSADMMLNEHL-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.11
Rot. Bonds4

About N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027748) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID121027748
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC NameN-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H14N6O3/c17-10-11-9-12(22(24)25)3-4-13(11)18-16(23)14-5-6-15(20-19-14)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,18,23)
InChIKeyHBQFSADMMLNEHL-UHFFFAOYSA-N
XLogP2.11
TPSA125.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028198
N-(2-cyano-4-nitrophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071084
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124222
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027923
N-(2-cyano-4-nitrophenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104094
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120568178
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 121027748) is N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is N#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is HBQFSADMMLNEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c17-10-11-9-12(22(24)25)3-4-13(11)18-16(23)14-5-6-15(20-19-14)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,18,23).
What are the key properties of N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).