6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride

C12H17Cl2N3O — CID 91645277

IUPAC6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCNCC1)c1cccc(Cl)n1
InChIInChI=1S/C12H16ClN3O.ClH/c13-11-3-1-2-10(16-11)12(17)15-8-9-4-6-14-7-5-9;/h1-3,9,14H,4-8H2,(H,15,17);1H
InChIKeyDHSUBNMUOGKHSU-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.89
Rot. Bonds3

About 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride

6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 91645277) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
PubChem CID91645277
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCNCC1)c1cccc(Cl)n1
InChIInChI=1S/C12H16ClN3O.ClH/c13-11-3-1-2-10(16-11)12(17)15-8-9-4-6-14-7-5-9;/h1-3,9,14H,4-8H2,(H,15,17);1H
InChIKeyDHSUBNMUOGKHSU-UHFFFAOYSA-N
XLogP1.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 80564489
6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107417789
benzyl 4-[[(6-chloropyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933687
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
2-chloro-6-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 63659497
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
6-chloro-N-(2-cyclopropylpropyl)pyridine-2-carboxamide
CID 115599506
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 170181761
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
CID 170993372

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride (CID 91645277) is 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCNCC1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is DHSUBNMUOGKHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O.ClH/c13-11-3-1-2-10(16-11)12(17)15-8-9-4-6-14-7-5-9;/h1-3,9,14H,4-8H2,(H,15,17);1H.
What are the key properties of 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride?
6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 290.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 91645277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).