5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

C12H15ClN6O — CID 80686009

IUPAC5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCn1cc(CCNC(=O)c2cnc(NN)c(Cl)c2)cn1
InChIInChI=1S/C12H15ClN6O/c1-19-7-8(5-17-19)2-3-15-12(20)9-4-10(13)11(18-14)16-6-9/h4-7H,2-3,14H2,1H3,(H,15,20)(H,16,18)
InChIKeyXKUGUXDMMWKGMA-UHFFFAOYSA-N
MW294.75 g/mol
LogP0.73
Rot. Bonds5

About 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 80686009) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID80686009
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCn1cc(CCNC(=O)c2cnc(NN)c(Cl)c2)cn1
InChIInChI=1S/C12H15ClN6O/c1-19-7-8(5-17-19)2-3-15-12(20)9-4-10(13)11(18-14)16-6-9/h4-7H,2-3,14H2,1H3,(H,15,20)(H,16,18)
InChIKeyXKUGUXDMMWKGMA-UHFFFAOYSA-N
XLogP0.73
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
5-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 62241771
5-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 62248435
5-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 113436378
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-nitrobenzamide
CID 80685172
5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287874
3-chloro-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]benzamide
CID 102664788
5-chloro-6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106340809
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (CID 80686009) is 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is Cn1cc(CCNC(=O)c2cnc(NN)c(Cl)c2)cn1.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is XKUGUXDMMWKGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-19-7-8(5-17-19)2-3-15-12(20)9-4-10(13)11(18-14)16-6-9/h4-7H,2-3,14H2,1H3,(H,15,20)(H,16,18).
What are the key properties of 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 294.75 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 80686009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).