3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide

C14H16ClN5O — CID 115379438

IUPAC3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2nc(NN)ccc2Cl)c1
InChIInChI=1S/C14H16ClN5O/c1-20(2)10-5-3-4-9(8-10)17-14(21)13-11(15)6-7-12(18-13)19-16/h3-8H,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPYSQGLGLVHFWSK-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.34
Rot. Bonds4

About 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide

3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide (PubChem CID 115379438) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide
PubChem CID115379438
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2nc(NN)ccc2Cl)c1
InChIInChI=1S/C14H16ClN5O/c1-20(2)10-5-3-4-9(8-10)17-14(21)13-11(15)6-7-12(18-13)19-16/h3-8H,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPYSQGLGLVHFWSK-UHFFFAOYSA-N
XLogP2.34
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.34
H-Bond Donors ≤ 53
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-N-(3,4-dichlorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62235808
3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107578975
3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62247567
3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62812279
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296
3-chloro-N-(4-ethoxyphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62233417
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62237587
3-chloro-6-hydrazinyl-N-pyridazin-3-ylpyridine-2-carboxamide
CID 116788097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide (CID 115379438) is 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide is CN(C)c1cccc(NC(=O)c2nc(NN)ccc2Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is PYSQGLGLVHFWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-20(2)10-5-3-4-9(8-10)17-14(21)13-11(15)6-7-12(18-13)19-16/h3-8H,16H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide?
3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 115379438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).