2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

C12H18ClN5O — CID 62235791

IUPAC2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(Cl)nc(NN)c2)C1
InChIInChI=1S/C12H18ClN5O/c1-18-3-2-8(7-18)6-15-12(19)9-4-10(13)16-11(5-9)17-14/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyZAADNCLFMIJLKV-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.70
Rot. Bonds4

About 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 62235791) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID62235791
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(Cl)nc(NN)c2)C1
InChIInChI=1S/C12H18ClN5O/c1-18-3-2-8(7-18)6-15-12(19)9-4-10(13)16-11(5-9)17-14/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyZAADNCLFMIJLKV-UHFFFAOYSA-N
XLogP0.70
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80612695
3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81089783
2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 62241494
2-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 63274888
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
CID 106327248
2-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyridine-4-carboxamide
CID 114267435
2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 136514213
2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (CID 62235791) is 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is CN1CCC(CNC(=O)c2cc(Cl)nc(NN)c2)C1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is ZAADNCLFMIJLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-18-3-2-8(7-18)6-15-12(19)9-4-10(13)16-11(5-9)17-14/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 62235791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).