2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide

C14H21ClN4O — CID 62542296

IUPAC2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C2CCCN(C)C2)cc(Cl)n1
InChIInChI=1S/C14H21ClN4O/c1-16-13-8-10(7-12(15)17-13)14(20)19(3)11-5-4-6-18(2)9-11/h7-8,11H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyNBECTAVVNZSERG-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.94
Rot. Bonds3

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

2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide (PubChem CID 62542296) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
PubChem CID62542296
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C2CCCN(C)C2)cc(Cl)n1
InChIInChI=1S/C14H21ClN4O/c1-16-13-8-10(7-12(15)17-13)14(20)19(3)11-5-4-6-18(2)9-11/h7-8,11H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyNBECTAVVNZSERG-UHFFFAOYSA-N
XLogP1.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide (CID 62542296) is 2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)C2CCCN(C)C2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
The InChIKey is NBECTAVVNZSERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-16-13-8-10(7-12(15)17-13)14(20)19(3)11-5-4-6-18(2)9-11/h7-8,11H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 62542296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).