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

C14H22ClN5O — CID 63235022

IUPAC3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2nc(NN)ccc2Cl)CC1
InChIInChI=1S/C14H22ClN5O/c1-19-7-5-10(6-8-19)9-20(2)14(21)13-11(15)3-4-12(17-13)18-16/h3-4,10H,5-9,16H2,1-2H3,(H,17,18)
InChIKeyUKTNLCDTAVMACR-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.43
Rot. Bonds4

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

3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 63235022) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
PubChem CID63235022
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2nc(NN)ccc2Cl)CC1
InChIInChI=1S/C14H22ClN5O/c1-19-7-5-10(6-8-19)9-20(2)14(21)13-11(15)3-4-12(17-13)18-16/h3-4,10H,5-9,16H2,1-2H3,(H,17,18)
InChIKeyUKTNLCDTAVMACR-UHFFFAOYSA-N
XLogP1.43
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.43
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide (CID 63235022) is 3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide is CN1CCC(CN(C)C(=O)c2nc(NN)ccc2Cl)CC1.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is UKTNLCDTAVMACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-19-7-5-10(6-8-19)9-20(2)14(21)13-11(15)3-4-12(17-13)18-16/h3-4,10H,5-9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 311.82 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63235022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).