[2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone

C19H24N4O4S — CID 11647097

IUPAC[2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(NC3CCN(S(C)(=O)=O)CC3)nc2N)c1
InChIInChI=1S/C19H24N4O4S/c1-27-15-5-3-4-13(12-15)18(24)16-6-7-17(22-19(16)20)21-14-8-10-23(11-9-14)28(2,25)26/h3-7,12,14H,8-11H2,1-2H3,(H3,20,21,22)
InChIKeyWKXSPKOOVSQBJX-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.74
Rot. Bonds6

About [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone

[2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone (PubChem CID 11647097) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone
PubChem CID11647097
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name[2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(NC3CCN(S(C)(=O)=O)CC3)nc2N)c1
InChIInChI=1S/C19H24N4O4S/c1-27-15-5-3-4-13(12-15)18(24)16-6-7-17(22-19(16)20)21-14-8-10-23(11-9-14)28(2,25)26/h3-7,12,14H,8-11H2,1-2H3,(H3,20,21,22)
InChIKeyWKXSPKOOVSQBJX-UHFFFAOYSA-N
XLogP1.74
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 11951616
methanesulfonic acid;3-methoxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide
CID 87995779
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
[4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate
CID 68810292
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methylphenyl)methanone
CID 56680002
5-chloro-4-N-(3-methoxyphenyl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 118709980
6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
CID 115320463
7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine
CID 71871267
(4-amino-2-ethylsulfonylpyrimidin-5-yl)-(3-fluoro-4-methoxyphenyl)methanone;[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(3-fluoro-4-methoxyphenyl)methanone;methane;1-methylsulfonylpiperidin-4-amine
CID 158662089
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
CID 11655245
3-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 145496921

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone (CID 11647097) is [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(NC3CCN(S(C)(=O)=O)CC3)nc2N)c1.
What is the InChIKey of [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone?
The InChIKey is WKXSPKOOVSQBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-27-15-5-3-4-13(12-15)18(24)16-6-7-17(22-19(16)20)21-14-8-10-23(11-9-14)28(2,25)26/h3-7,12,14H,8-11H2,1-2H3,(H3,20,21,22).
What are the key properties of [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone?
[2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone has a molecular weight of 404.49 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 11647097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).