6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide

C16H18N4O7S — CID 174837157

IUPAC6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide
SMILESC=CCON(C1CN=C(OC)C=C1C(N)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N4O7S/c1-3-8-27-20(13-10-18-15(26-2)9-11(13)16(17)21)28(24,25)14-7-5-4-6-12(14)19(22)23/h3-7,9,13H,1,8,10H2,2H3,(H2,17,21)
InChIKeyFQQWHZCIZKWJSV-UHFFFAOYSA-N
MW410.41 g/mol
LogP0.54
Rot. Bonds8

About 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide

6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide (PubChem CID 174837157) has the molecular formula C16H18N4O7S and a molecular weight of 410.41 g/mol. Its IUPAC name is 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide
PubChem CID174837157
Molecular FormulaC16H18N4O7S
Molecular Weight410.41 g/mol
Exact Mass410.09
IUPAC Name6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide
SMILESC=CCON(C1CN=C(OC)C=C1C(N)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N4O7S/c1-3-8-27-20(13-10-18-15(26-2)9-11(13)16(17)21)28(24,25)14-7-5-4-6-12(14)19(22)23/h3-7,9,13H,1,8,10H2,2H3,(H2,17,21)
InChIKeyFQQWHZCIZKWJSV-UHFFFAOYSA-N
XLogP0.54
TPSA154.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-6-carboxamide
CID 141382047
N-[2-(hydroxymethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-yl]-2-nitro-N-prop-2-enoxybenzenesulfonamide;hydrochloride
CID 162464744
[methyl-(2-nitrophenyl)sulfonylamino] cyclopropanecarboxylate
CID 174859724
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2-nitrophenyl)sulfonyl-pent-4-enylamino]methyl]-3-oxopropanoic acid
CID 21080146
N-[6-(hydroxymethyl)-4-(2-nitroethyl)-2,3-dihydropyridin-3-yl]-2-nitro-N-phenylmethoxybenzenesulfonamide
CID 141382031
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-nitrophenyl)sulfonyl-pent-4-enylamino]propanoate
CID 58798683
prop-2-enyl N-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-(2-nitrophenyl)sulfonylamino]butyl-(2-nitrophenyl)sulfonylamino]propyl]carbamate
CID 10628911
tert-butyl 4-methyl-5-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-3-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122668403
2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 50891057
methyl (2S)-2-[3-methylidenehexyl-(2-nitrophenyl)sulfonylamino]pent-4-enoate
CID 86631214
ethyl 2-(2-nitrophenyl)sulfonylpentanoate
CID 83037327
3-methoxy-4-[methyl-(2-nitrophenyl)sulfonylamino]butanoic acid
CID 59620493

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide?
The IUPAC name of 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide (CID 174837157) is 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide.
What is the SMILES notation for 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide?
The canonical SMILES for 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide is C=CCON(C1CN=C(OC)C=C1C(N)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide?
The InChIKey is FQQWHZCIZKWJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O7S/c1-3-8-27-20(13-10-18-15(26-2)9-11(13)16(17)21)28(24,25)14-7-5-4-6-12(14)19(22)23/h3-7,9,13H,1,8,10H2,2H3,(H2,17,21).
What are the key properties of 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide?
6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-2,3-dihydropyridine-4-carboxamide is sourced from PubChem (CID 174837157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).