[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone

C22H23ClN4O2 — CID 23725915

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCCC3c3ccc(C)o3)cc2Cl)cn1
InChIInChI=1S/C22H23ClN4O2/c1-14-6-8-17(13-24-14)26-21-18(23)11-16(12-25-21)22(28)27-10-4-3-5-19(27)20-9-7-15(2)29-20/h6-9,11-13,19H,3-5,10H2,1-2H3,(H,25,26)
InChIKeyYOUIQGSPMLFUQR-UHFFFAOYSA-N
MW410.91 g/mol
LogP5.45
Rot. Bonds4

About [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone (PubChem CID 23725915) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone
PubChem CID23725915
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCCC3c3ccc(C)o3)cc2Cl)cn1
InChIInChI=1S/C22H23ClN4O2/c1-14-6-8-17(13-24-14)26-21-18(23)11-16(12-25-21)22(28)27-10-4-3-5-19(27)20-9-7-15(2)29-20/h6-9,11-13,19H,3-5,10H2,1-2H3,(H,25,26)
InChIKeyYOUIQGSPMLFUQR-UHFFFAOYSA-N
XLogP5.45
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.91
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone (CID 23725915) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone is Cc1ccc(Nc2ncc(C(=O)N3CCCCC3c3ccc(C)o3)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone?
The InChIKey is YOUIQGSPMLFUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14-6-8-17(13-24-14)26-21-18(23)11-16(12-25-21)22(28)27-10-4-3-5-19(27)20-9-7-15(2)29-20/h6-9,11-13,19H,3-5,10H2,1-2H3,(H,25,26).
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone has a molecular weight of 410.91 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[2-(5-methylfuran-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 23725915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).