N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide

C26H36ClN5O3 — CID 123534367

IUPACN-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide
SMILESCOCCN1CCCC(CC(=O)Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)C1
InChIInChI=1S/C26H36ClN5O3/c1-34-13-10-32-9-3-4-20(18-32)14-26(33)31-25-15-21(22(27)17-29-25)23-5-2-6-24(30-23)28-16-19-7-11-35-12-8-19/h2,5-6,15,17,19-20H,3-4,7-14,16,18H2,1H3,(H,28,30)(H,29,31,33)
InChIKeyJFWXXZHZGRQTIX-UHFFFAOYSA-N
MW502.06 g/mol
LogP4.32
Rot. Bonds10

About N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide

N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide (PubChem CID 123534367) has the molecular formula C26H36ClN5O3 and a molecular weight of 502.06 g/mol. Its IUPAC name is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide
PubChem CID123534367
Molecular FormulaC26H36ClN5O3
Molecular Weight502.06 g/mol
Exact Mass501.25
IUPAC NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide
SMILESCOCCN1CCCC(CC(=O)Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)C1
InChIInChI=1S/C26H36ClN5O3/c1-34-13-10-32-9-3-4-20(18-32)14-26(33)31-25-15-21(22(27)17-29-25)23-5-2-6-24(30-23)28-16-19-7-11-35-12-8-19/h2,5-6,15,17,19-20H,3-4,7-14,16,18H2,1H3,(H,28,30)(H,29,31,33)
InChIKeyJFWXXZHZGRQTIX-UHFFFAOYSA-N
XLogP4.32
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.06
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide (CID 123534367) is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide is COCCN1CCCC(CC(=O)Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)C1.
What is the InChIKey of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide?
The InChIKey is JFWXXZHZGRQTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN5O3/c1-34-13-10-32-9-3-4-20(18-32)14-26(33)31-25-15-21(22(27)17-29-25)23-5-2-6-24(30-23)28-16-19-7-11-35-12-8-19/h2,5-6,15,17,19-20H,3-4,7-14,16,18H2,1H3,(H,28,30)(H,29,31,33).
What are the key properties of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide?
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide has a molecular weight of 502.06 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-2-[1-(2-methoxyethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 123534367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).