2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide

C14H22ClN5O — CID 62241494

IUPAC2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cc(Cl)nc(NN)c2)CC1
InChIInChI=1S/C14H22ClN5O/c1-2-5-20-6-3-11(4-7-20)17-14(21)10-8-12(15)18-13(9-10)19-16/h8-9,11H,2-7,16H2,1H3,(H,17,21)(H,18,19)
InChIKeyFGOAGHZKWRUSMB-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.62
Rot. Bonds5

About 2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 62241494) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID62241494
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cc(Cl)nc(NN)c2)CC1
InChIInChI=1S/C14H22ClN5O/c1-2-5-20-6-3-11(4-7-20)17-14(21)10-8-12(15)18-13(9-10)19-16/h8-9,11H,2-7,16H2,1H3,(H,17,21)(H,18,19)
InChIKeyFGOAGHZKWRUSMB-UHFFFAOYSA-N
XLogP1.62
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide (CID 62241494) is 2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide is CCCN1CCC(NC(=O)c2cc(Cl)nc(NN)c2)CC1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is FGOAGHZKWRUSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-2-5-20-6-3-11(4-7-20)17-14(21)10-8-12(15)18-13(9-10)19-16/h8-9,11H,2-7,16H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 311.82 g/mol, XLogP of 1.62, 5 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-propylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 62241494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).