N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C17H23N5O3S — CID 55638539

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(C)c1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccn1
InChIInChI=1S/C17H23N5O3S/c1-21(2)17-11-14(5-6-18-17)12-19-16-4-3-15(13-20-16)26(23,24)22-7-9-25-10-8-22/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,20)
InChIKeyQATJKIJLYAAGCA-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.18
Rot. Bonds6

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 55638539) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID55638539
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(C)c1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccn1
InChIInChI=1S/C17H23N5O3S/c1-21(2)17-11-14(5-6-18-17)12-19-16-4-3-15(13-20-16)26(23,24)22-7-9-25-10-8-22/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,20)
InChIKeyQATJKIJLYAAGCA-UHFFFAOYSA-N
XLogP1.18
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine
CID 55627000
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N,N-dimethyl-3-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]pyridin-2-amine
CID 55827227
N-[(2-methoxy-4-pyridinyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 24632061
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
CID 9112932
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133406165
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 55638539) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is CN(C)c1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccn1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is QATJKIJLYAAGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-21(2)17-11-14(5-6-18-17)12-19-16-4-3-15(13-20-16)26(23,24)22-7-9-25-10-8-22/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,20).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 55638539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).