N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide

C19H20N6O3 — CID 46436330

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cn2)n1
InChIInChI=1S/C19H20N6O3/c1-13-11-14(2)24(23-13)18-8-7-15(12-21-18)22-19(26)9-10-20-16-5-3-4-6-17(16)25(27)28/h3-8,11-12,20H,9-10H2,1-2H3,(H,22,26)
InChIKeyXECUXTDDXKYCCO-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.23
Rot. Bonds7

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide (PubChem CID 46436330) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide
PubChem CID46436330
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cn2)n1
InChIInChI=1S/C19H20N6O3/c1-13-11-14(2)24(23-13)18-8-7-15(12-21-18)22-19(26)9-10-20-16-5-3-4-6-17(16)25(27)28/h3-8,11-12,20H,9-10H2,1-2H3,(H,22,26)
InChIKeyXECUXTDDXKYCCO-UHFFFAOYSA-N
XLogP3.23
TPSA114.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
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-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-nitrobenzamide
CID 31907871
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 31908039
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide
CID 55519144
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(2-nitroanilino)propanamide
CID 55550892
4-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pentanamide;dihydrochloride
CID 120564625
N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 31923776
N-(3,5-dimethoxyphenyl)-3-(2-nitroanilino)propanamide
CID 16962807
N-[2-methyl-5-(propanoylamino)phenyl]-3-(2-nitroanilino)propanamide
CID 46478294
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide
CID 43071070
N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide
CID 47067450
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 46483596
N-(5-fluoro-2-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16962362

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide (CID 46436330) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide is Cc1cc(C)n(-c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide?
The InChIKey is XECUXTDDXKYCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-13-11-14(2)24(23-13)18-8-7-15(12-21-18)22-19(26)9-10-20-16-5-3-4-6-17(16)25(27)28/h3-8,11-12,20H,9-10H2,1-2H3,(H,22,26).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide has a molecular weight of 380.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 46436330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).