N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine

C20H27N5O3S — CID 110265497

IUPACN-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine
SMILESCc1cccnc1Nc1cccc(C2CCCN(S(=O)(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C20H27N5O3S/c1-16-5-3-9-21-20(16)23-19-8-2-7-18(22-19)17-6-4-10-25(15-17)29(26,27)24-11-13-28-14-12-24/h2-3,5,7-9,17H,4,6,10-15H2,1H3,(H,21,22,23)
InChIKeyMECQENSTRVEQTL-UHFFFAOYSA-N
MW417.54 g/mol
LogP2.29
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine

N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine (PubChem CID 110265497) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine
PubChem CID110265497
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC NameN-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine
SMILESCc1cccnc1Nc1cccc(C2CCCN(S(=O)(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C20H27N5O3S/c1-16-5-3-9-21-20(16)23-19-8-2-7-18(22-19)17-6-4-10-25(15-17)29(26,27)24-11-13-28-14-12-24/h2-3,5,7-9,17H,4,6,10-15H2,1H3,(H,21,22,23)
InChIKeyMECQENSTRVEQTL-UHFFFAOYSA-N
XLogP2.29
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540
N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 95837598
2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093714
2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 124997525
6-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835978
6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265515
4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110268414
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95835904
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
N-pyridin-2-yl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 110093833
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine?
The IUPAC name of N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine (CID 110265497) is N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine is Cc1cccnc1Nc1cccc(C2CCCN(S(=O)(=O)N3CCOCC3)C2)n1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine?
The InChIKey is MECQENSTRVEQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-16-5-3-9-21-20(16)23-19-8-2-7-18(22-19)17-6-4-10-25(15-17)29(26,27)24-11-13-28-14-12-24/h2-3,5,7-9,17H,4,6,10-15H2,1H3,(H,21,22,23).
What are the key properties of N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine?
N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine has a molecular weight of 417.54 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 110265497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).