N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C19H19N5O4 — CID 31738081

IUPACN-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCCNc1ccccc1[N+](=O)[O-])C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C19H19N5O4/c25-18-11-10-16(22-23(18)14-6-2-1-3-7-14)19(26)21-13-12-20-15-8-4-5-9-17(15)24(27)28/h1-9,20H,10-13H2,(H,21,26)
InChIKeyFVYPMYOSXAHBEB-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 31738081) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID31738081
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCCNc1ccccc1[N+](=O)[O-])C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C19H19N5O4/c25-18-11-10-16(22-23(18)14-6-2-1-3-7-14)19(26)21-13-12-20-15-8-4-5-9-17(15)24(27)28/h1-9,20H,10-13H2,(H,21,26)
InChIKeyFVYPMYOSXAHBEB-UHFFFAOYSA-N
XLogP2.31
TPSA116.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-nitroanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 29170468
N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 51255829
N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9278830
N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9278484
1-benzyl-N-[2-(2-nitroanilino)ethyl]-6-oxopyridazine-3-carboxamide
CID 9278557
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278857
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide
CID 9278708
N-[2-(2-nitroanilino)ethyl]-3-phenylprop-2-ynamide
CID 11381305
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 31738081) is N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(NCCNc1ccccc1[N+](=O)[O-])C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FVYPMYOSXAHBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c25-18-11-10-16(22-23(18)14-6-2-1-3-7-14)19(26)21-13-12-20-15-8-4-5-9-17(15)24(27)28/h1-9,20H,10-13H2,(H,21,26).
What are the key properties of N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 31738081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).