6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide

C16H16ClN7O2 — CID 134439018

IUPAC6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide
SMILESCOc1c(Nc2cc(Cl)ncc2C(=O)NN)cccc1-c1ncn(C)n1
InChIInChI=1S/C16H16ClN7O2/c1-24-8-20-15(23-24)9-4-3-5-11(14(9)26-2)21-12-6-13(17)19-7-10(12)16(25)22-18/h3-8H,18H2,1-2H3,(H,19,21)(H,22,25)
InChIKeyOXGSBSQEZLGAHD-UHFFFAOYSA-N
MW373.80 g/mol
LogP1.89
Rot. Bonds5

About 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide

6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide (PubChem CID 134439018) has the molecular formula C16H16ClN7O2 and a molecular weight of 373.80 g/mol. Its IUPAC name is 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide
PubChem CID134439018
Molecular FormulaC16H16ClN7O2
Molecular Weight373.80 g/mol
Exact Mass373.11
IUPAC Name6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide
SMILESCOc1c(Nc2cc(Cl)ncc2C(=O)NN)cccc1-c1ncn(C)n1
InChIInChI=1S/C16H16ClN7O2/c1-24-8-20-15(23-24)9-4-3-5-11(14(9)26-2)21-12-6-13(17)19-7-10(12)16(25)22-18/h3-8H,18H2,1-2H3,(H,19,21)(H,22,25)
InChIKeyOXGSBSQEZLGAHD-UHFFFAOYSA-N
XLogP1.89
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]-3-methylbutan-1-one
CID 175174540
[6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]-cyclopentylmethanone
CID 162355190
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxylic acid
CID 166064429
6-(hexanoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 170739317
1-[6-[[5-(2-aminoethoxy)pyrazin-2-yl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 166799290
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyrimidine-5-carboxamide
CID 171437014
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]ethanone
CID 166798851
[6-[2-[3-[[2-chloro-5-(methylcarbamoyl)-4-pyridinyl]amino]-4-methoxy-5-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethoxymethyl]-2-pyridinyl] carbamate
CID 175492076
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(1-methylpyrazol-4-yl)amino]-3-pyridinyl]ethanone
CID 166798864
2,2-difluoro-N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 162355155
N-[5-(2-fluorocyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 155279406

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide?
The IUPAC name of 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide (CID 134439018) is 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide.
What is the SMILES notation for 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide?
The canonical SMILES for 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide is COc1c(Nc2cc(Cl)ncc2C(=O)NN)cccc1-c1ncn(C)n1.
What is the InChIKey of 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide?
The InChIKey is OXGSBSQEZLGAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O2/c1-24-8-20-15(23-24)9-4-3-5-11(14(9)26-2)21-12-6-13(17)19-7-10(12)16(25)22-18/h3-8H,18H2,1-2H3,(H,19,21)(H,22,25).
What are the key properties of 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide?
6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide has a molecular weight of 373.80 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide is sourced from PubChem (CID 134439018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).