N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

C25H30N6O2S — CID 166918953

IUPACN-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCSc1cc(C)cc(Nc2cc(NC(C)=O)ncc2-c2ccc(N3CC(C)OC(C)C3)cn2)n1
InChIInChI=1S/C25H30N6O2S/c1-15-8-24(30-25(9-15)34-5)29-22-10-23(28-18(4)32)27-12-20(22)21-7-6-19(11-26-21)31-13-16(2)33-17(3)14-31/h6-12,16-17H,13-14H2,1-5H3,(H2,27,28,29,30,32)
InChIKeyIBALBEAAASLRRX-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.88
Rot. Bonds6

About N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide (PubChem CID 166918953) has the molecular formula C25H30N6O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
PubChem CID166918953
Molecular FormulaC25H30N6O2S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCSc1cc(C)cc(Nc2cc(NC(C)=O)ncc2-c2ccc(N3CC(C)OC(C)C3)cn2)n1
InChIInChI=1S/C25H30N6O2S/c1-15-8-24(30-25(9-15)34-5)29-22-10-23(28-18(4)32)27-12-20(22)21-7-6-19(11-26-21)31-13-16(2)33-17(3)14-31/h6-12,16-17H,13-14H2,1-5H3,(H2,27,28,29,30,32)
InChIKeyIBALBEAAASLRRX-UHFFFAOYSA-N
XLogP4.88
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918458
N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 166918745
[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188070
N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 170731032
N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918707
N-[5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-4-[[4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166918676
(2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine
CID 141223503
N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730825
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 175991044
N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 175991041
[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188049
N-[5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-4-[[4-(3-methoxypiperidin-1-yl)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 170687705

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide (CID 166918953) is N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is CSc1cc(C)cc(Nc2cc(NC(C)=O)ncc2-c2ccc(N3CC(C)OC(C)C3)cn2)n1.
What is the InChIKey of N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The InChIKey is IBALBEAAASLRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2S/c1-15-8-24(30-25(9-15)34-5)29-22-10-23(28-18(4)32)27-12-20(22)21-7-6-19(11-26-21)31-13-16(2)33-17(3)14-31/h6-12,16-17H,13-14H2,1-5H3,(H2,27,28,29,30,32).
What are the key properties of N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide has a molecular weight of 478.62 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 166918953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).