3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide

C12H18ClN5O2 — CID 62242207

IUPAC3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H18ClN5O2/c1-2-6-15-10(19)5-7-16-12(20)11-8(13)3-4-9(17-11)18-14/h3-4H,2,5-7,14H2,1H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyZTVFDWSRURMUJJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.67
Rot. Bonds7

About 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide (PubChem CID 62242207) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
PubChem CID62242207
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H18ClN5O2/c1-2-6-15-10(19)5-7-16-12(20)11-8(13)3-4-9(17-11)18-14/h3-4H,2,5-7,14H2,1H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyZTVFDWSRURMUJJ-UHFFFAOYSA-N
XLogP0.67
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963599
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
2-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62242208
3-chloro-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227438
3-chloro-6-hydrazinyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106331402
3-chloro-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235822
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396
3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide
CID 62248018
3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62248784
3-chloro-6-hydrazinyl-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
CID 62249778
2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 61149972
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide (CID 62242207) is 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide is CCCNC(=O)CCNC(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide?
The InChIKey is ZTVFDWSRURMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c1-2-6-15-10(19)5-7-16-12(20)11-8(13)3-4-9(17-11)18-14/h3-4H,2,5-7,14H2,1H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 62242207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).