3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide

C13H14ClN5O — CID 62989223

IUPAC3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(NN)ccc2Cl)cn1
InChIInChI=1S/C13H14ClN5O/c1-8-2-3-9(6-16-8)7-17-13(20)12-10(14)4-5-11(18-12)19-15/h2-6H,7,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyVCWWALYMEBHHHS-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.65
Rot. Bonds4

About 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 62989223) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID62989223
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(NN)ccc2Cl)cn1
InChIInChI=1S/C13H14ClN5O/c1-8-2-3-9(6-16-8)7-17-13(20)12-10(14)4-5-11(18-12)19-15/h2-6H,7,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyVCWWALYMEBHHHS-UHFFFAOYSA-N
XLogP1.65
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.65
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-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62532452
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64524391
3-chloro-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62187059
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841226
3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62312640
3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963599
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 175935774
3-chloro-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235822
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371
4-hydrazinyl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 63212635

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 62989223) is 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2nc(NN)ccc2Cl)cn1.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is VCWWALYMEBHHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-8-2-3-9(6-16-8)7-17-13(20)12-10(14)4-5-11(18-12)19-15/h2-6H,7,15H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62989223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).