2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide

C21H26Cl2N4O2 — CID 86887959

IUPAC2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide
SMILESCOc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(Cl)nc(Cl)c3)CC2)c1C
InChIInChI=1S/C21H26Cl2N4O2/c1-13-11-24-17(14(2)20(13)29-4)12-27-7-5-16(6-8-27)26(3)21(28)15-9-18(22)25-19(23)10-15/h9-11,16H,5-8,12H2,1-4H3
InChIKeyGDKVCWHMZGQLIV-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.15
Rot. Bonds5

About 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide

2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide (PubChem CID 86887959) has the molecular formula C21H26Cl2N4O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide
PubChem CID86887959
Molecular FormulaC21H26Cl2N4O2
Molecular Weight437.37 g/mol
Exact Mass436.14
IUPAC Name2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide
SMILESCOc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(Cl)nc(Cl)c3)CC2)c1C
InChIInChI=1S/C21H26Cl2N4O2/c1-13-11-24-17(14(2)20(13)29-4)12-27-7-5-16(6-8-27)26(3)21(28)15-9-18(22)25-19(23)10-15/h9-11,16H,5-8,12H2,1-4H3
InChIKeyGDKVCWHMZGQLIV-UHFFFAOYSA-N
XLogP4.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide (CID 86887959) is 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide is COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(Cl)nc(Cl)c3)CC2)c1C.
What is the InChIKey of 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide?
The InChIKey is GDKVCWHMZGQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O2/c1-13-11-24-17(14(2)20(13)29-4)12-27-7-5-16(6-8-27)26(3)21(28)15-9-18(22)25-19(23)10-15/h9-11,16H,5-8,12H2,1-4H3.
What are the key properties of 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide?
2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide has a molecular weight of 437.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 86887959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).