[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C19H21N3O3 — CID 109218171

IUPAC[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Nc3ccc4c(c3)OCO4)ccn2)C1
InChIInChI=1S/C19H21N3O3/c1-13-3-2-8-22(11-13)19(23)16-9-15(6-7-20-16)21-14-4-5-17-18(10-14)25-12-24-17/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H,20,21)
InChIKeyWDTWQKSYQDOVRW-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.43
Rot. Bonds3

About [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109218171) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109218171
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Nc3ccc4c(c3)OCO4)ccn2)C1
InChIInChI=1S/C19H21N3O3/c1-13-3-2-8-22(11-13)19(23)16-9-15(6-7-20-16)21-14-4-5-17-18(10-14)25-12-24-17/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H,20,21)
InChIKeyWDTWQKSYQDOVRW-UHFFFAOYSA-N
XLogP3.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218172
[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218123
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090343
[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213829
[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342470
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
[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
[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110336870

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109218171) is [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(Nc3ccc4c(c3)OCO4)ccn2)C1.
What is the InChIKey of [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is WDTWQKSYQDOVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-3-2-8-22(11-13)19(23)16-9-15(6-7-20-16)21-14-4-5-17-18(10-14)25-12-24-17/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H,20,21).
What are the key properties of [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109218171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).