[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride

C18H21Cl2N3O — CID 23725274

IUPAC[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1.Cl
InChIInChI=1S/C18H20ClN3O.ClH/c1-13-4-2-3-11-22(13)18(23)14-5-10-17(20-12-14)21-16-8-6-15(19)7-9-16;/h5-10,12-13H,2-4,11H2,1H3,(H,20,21);1H
InChIKeyOUOQCCKSJDJFKG-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.91
Rot. Bonds3

About [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride

[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 23725274) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID23725274
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1.Cl
InChIInChI=1S/C18H20ClN3O.ClH/c1-13-4-2-3-11-22(13)18(23)14-5-10-17(20-12-14)21-16-8-6-15(19)7-9-16;/h5-10,12-13H,2-4,11H2,1H3,(H,20,21);1H
InChIKeyOUOQCCKSJDJFKG-UHFFFAOYSA-N
XLogP4.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 17138717
ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109161686
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone
CID 109161690
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 166390335

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride (CID 23725274) is [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride is CC1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1.Cl.
What is the InChIKey of [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is OUOQCCKSJDJFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O.ClH/c1-13-4-2-3-11-22(13)18(23)14-5-10-17(20-12-14)21-16-8-6-15(19)7-9-16;/h5-10,12-13H,2-4,11H2,1H3,(H,20,21);1H.
What are the key properties of [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 366.29 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 23725274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).