[3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

C19H23ClN4O2 — CID 118111780

IUPAC[3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCCC(OC)(c3ncc(Cl)cc3C)C2)ccn1
InChIInChI=1S/C19H23ClN4O2/c1-13-9-15(20)11-23-17(13)19(26-3)6-4-8-24(12-19)18(25)14-5-7-22-16(10-14)21-2/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,21,22)
InChIKeyFUCXNUIISNONOR-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.26
Rot. Bonds4

About [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

[3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 118111780) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID118111780
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name[3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCCC(OC)(c3ncc(Cl)cc3C)C2)ccn1
InChIInChI=1S/C19H23ClN4O2/c1-13-9-15(20)11-23-17(13)19(26-3)6-4-8-24(12-19)18(25)14-5-7-22-16(10-14)21-2/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,21,22)
InChIKeyFUCXNUIISNONOR-UHFFFAOYSA-N
XLogP3.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 118111780) is [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCCC(OC)(c3ncc(Cl)cc3C)C2)ccn1.
What is the InChIKey of [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is FUCXNUIISNONOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-9-15(20)11-23-17(13)19(26-3)6-4-8-24(12-19)18(25)14-5-7-22-16(10-14)21-2/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,21,22).
What are the key properties of [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 374.87 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-3-methyl-2-pyridinyl)-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 118111780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).