N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine

C17H22N4O2S — CID 134017977

IUPACN-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccncc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H22N4O2S/c1-20(14-15-7-9-18-10-8-15)17-6-5-16(13-19-17)24(22,23)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12,14H2,1H3
InChIKeyDXJWAQWTOZMEAD-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine

N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 134017977) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID134017977
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccncc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H22N4O2S/c1-20(14-15-7-9-18-10-8-15)17-6-5-16(13-19-17)24(22,23)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12,14H2,1H3
InChIKeyDXJWAQWTOZMEAD-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 8892754
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133385878
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 31920963
N-[(4-ethylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17470060
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308607
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133288130
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 9195193
N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 112768239
N-(4-fluorophenyl)-2-[methyl-(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195440
N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 78805459
N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 4877465

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 134017977) is N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine is CN(Cc1ccncc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is DXJWAQWTOZMEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20(14-15-7-9-18-10-8-15)17-6-5-16(13-19-17)24(22,23)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12,14H2,1H3.
What are the key properties of N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 346.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 134017977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).