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

C18H20ClN3O — CID 109218123

IUPAC[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Nc3ccc(Cl)cc3)ccn2)C1
InChIInChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)17-11-16(8-9-20-17)21-15-6-4-14(19)5-7-15/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21)
InChIKeyFOYVSQDZCRDQPK-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.35
Rot. Bonds3

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

[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109218123) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is [4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109218123
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Nc3ccc(Cl)cc3)ccn2)C1
InChIInChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)17-11-16(8-9-20-17)21-15-6-4-14(19)5-7-15/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21)
InChIKeyFOYVSQDZCRDQPK-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218171
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218172
[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334050
[2-(3,4-dichloroanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312853
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312797
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109218123) is [4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(Nc3ccc(Cl)cc3)ccn2)C1.
What is the InChIKey of [4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FOYVSQDZCRDQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)17-11-16(8-9-20-17)21-15-6-4-14(19)5-7-15/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21).
What are the key properties of [4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 329.83 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109218123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).