N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide

C18H24N6O5S — CID 55964508

IUPACN-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C18H24N6O5S/c1-3-23(4-2)17-8-5-13(12-21-17)22-18(25)9-10-20-15-7-6-14(30(19,28)29)11-16(15)24(26)27/h5-8,11-12,20H,3-4,9-10H2,1-2H3,(H,22,25)(H2,19,28,29)
InChIKeyZHZFRCOAPQEJDC-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.92
Rot. Bonds10

About N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide

N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide (PubChem CID 55964508) has the molecular formula C18H24N6O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
PubChem CID55964508
Molecular FormulaC18H24N6O5S
Molecular Weight436.49 g/mol
Exact Mass436.15
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C18H24N6O5S/c1-3-23(4-2)17-8-5-13(12-21-17)22-18(25)9-10-20-15-7-6-14(30(19,28)29)11-16(15)24(26)27/h5-8,11-12,20H,3-4,9-10H2,1-2H3,(H,22,25)(H2,19,28,29)
InChIKeyZHZFRCOAPQEJDC-UHFFFAOYSA-N
XLogP1.92
TPSA160.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-(4-bromophenyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 36838470
N-[4-(4-methylphenoxy)phenyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 24503032
3-(2-nitro-4-sulfamoylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 24502548
N-[2,6-di(propan-2-yl)phenyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 55406333
N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 55993883
N-(2-methyl-1-phenylpropyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 24625531
3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide
CID 37322815
3-(2-nitro-4-sulfamoylanilino)-N-(2-phenylsulfanylethyl)propanamide
CID 55407564
4-(2-aminoethylamino)-3-nitrobenzenesulfonamide;hydrochloride
CID 155669962
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-nitro-4-sulfamoylanilino)propanamide;hydrochloride
CID 119656680
4-(3-methylbutylamino)-3-nitrobenzenesulfonamide
CID 26471070
4-[[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide
CID 120805841

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide (CID 55964508) is N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide is CCN(CC)c1ccc(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide?
The InChIKey is ZHZFRCOAPQEJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O5S/c1-3-23(4-2)17-8-5-13(12-21-17)22-18(25)9-10-20-15-7-6-14(30(19,28)29)11-16(15)24(26)27/h5-8,11-12,20H,3-4,9-10H2,1-2H3,(H,22,25)(H2,19,28,29).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide?
N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide has a molecular weight of 436.49 g/mol, XLogP of 1.92, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide is sourced from PubChem (CID 55964508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).