2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide

C22H22Cl2N6O2 — CID 118720010

IUPAC2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
SMILESCOC1CCN(c2nccc(Nc3cc(NC(=O)c4c(Cl)cccc4Cl)ccn3)n2)CC1
InChIInChI=1S/C22H22Cl2N6O2/c1-32-15-7-11-30(12-8-15)22-26-10-6-18(29-22)28-19-13-14(5-9-25-19)27-21(31)20-16(23)3-2-4-17(20)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H2,25,26,27,28,29,31)
InChIKeyBZYZLWXWWROSRX-UHFFFAOYSA-N
MW473.36 g/mol
LogP4.79
Rot. Bonds6

About 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide

2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide (PubChem CID 118720010) has the molecular formula C22H22Cl2N6O2 and a molecular weight of 473.36 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
PubChem CID118720010
Molecular FormulaC22H22Cl2N6O2
Molecular Weight473.36 g/mol
Exact Mass472.12
IUPAC Name2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
SMILESCOC1CCN(c2nccc(Nc3cc(NC(=O)c4c(Cl)cccc4Cl)ccn3)n2)CC1
InChIInChI=1S/C22H22Cl2N6O2/c1-32-15-7-11-30(12-8-15)22-26-10-6-18(29-22)28-19-13-14(5-9-25-19)27-21(31)20-16(23)3-2-4-17(20)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H2,25,26,27,28,29,31)
InChIKeyBZYZLWXWWROSRX-UHFFFAOYSA-N
XLogP4.79
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide (CID 118720010) is 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide is COC1CCN(c2nccc(Nc3cc(NC(=O)c4c(Cl)cccc4Cl)ccn3)n2)CC1.
What is the InChIKey of 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
The InChIKey is BZYZLWXWWROSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N6O2/c1-32-15-7-11-30(12-8-15)22-26-10-6-18(29-22)28-19-13-14(5-9-25-19)27-21(31)20-16(23)3-2-4-17(20)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H2,25,26,27,28,29,31).
What are the key properties of 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide has a molecular weight of 473.36 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 118720010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).