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

C19H21Cl2N3O — CID 23725539

IUPAC[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)C1
InChIInChI=1S/C19H21Cl2N3O/c1-2-13-4-3-9-24(12-13)19(25)14-10-17(21)18(22-11-14)23-16-7-5-15(20)6-8-16/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,22,23)
InChIKeyDPPFDGYZSWUHCO-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.39
Rot. Bonds4

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

[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone (PubChem CID 23725539) 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]-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone
PubChem CID23725539
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)C1
InChIInChI=1S/C19H21Cl2N3O/c1-2-13-4-3-9-24(12-13)19(25)14-10-17(21)18(22-11-14)23-16-7-5-15(20)6-8-16/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,22,23)
InChIKeyDPPFDGYZSWUHCO-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-(methylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418732
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 23725491
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 23725699
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-propylidenepiperidin-1-yl]methanone
CID 66869201
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone
CID 23725813
(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 55158690

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone (CID 23725539) is [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)C1.
What is the InChIKey of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is DPPFDGYZSWUHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-2-13-4-3-9-24(12-13)19(25)14-10-17(21)18(22-11-14)23-16-7-5-15(20)6-8-16/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,22,23).
What are the key properties of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone?
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 378.30 g/mol, XLogP of 5.39, 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]-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).