[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone

C19H21Cl2N3O — CID 23725974

IUPAC[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C19H21Cl2N3O/c1-2-16-5-3-4-10-24(16)19(25)13-11-17(21)18(22-12-13)23-15-8-6-14(20)7-9-15/h6-9,11-12,16H,2-5,10H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyCOGYAXFYJYPHMB-MRXNPFEDSA-N
MW378.30 g/mol
LogP5.54
Rot. Bonds4

About [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone

[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone (PubChem CID 23725974) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
PubChem CID23725974
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C19H21Cl2N3O/c1-2-16-5-3-4-10-24(16)19(25)13-11-17(21)18(22-12-13)23-15-8-6-14(20)7-9-15/h6-9,11-12,16H,2-5,10H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyCOGYAXFYJYPHMB-MRXNPFEDSA-N
XLogP5.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone (CID 23725974) is [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone is CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is COGYAXFYJYPHMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-2-16-5-3-4-10-24(16)19(25)13-11-17(21)18(22-12-13)23-15-8-6-14(20)7-9-15/h6-9,11-12,16H,2-5,10H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone has a molecular weight of 378.30 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 23725974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).