N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

C25H30N6O5S — CID 166918458

IUPACN-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cn2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C25H30N6O5S/c1-15-13-31(14-16(2)36-15)18-6-7-21(26-11-18)20-12-27-23(28-17(3)32)10-22(20)29-24-8-19(35-4)9-25(30-24)37(5,33)34/h6-12,15-16H,13-14H2,1-5H3,(H2,27,28,29,30,32)/t15-,16+
InChIKeyFPPFOVFVSMJGMQ-IYBDPMFKSA-N
MW526.62 g/mol
LogP3.27
Rot. Bonds7

About N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide (PubChem CID 166918458) has the molecular formula C25H30N6O5S and a molecular weight of 526.62 g/mol. Its IUPAC name is N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
PubChem CID166918458
Molecular FormulaC25H30N6O5S
Molecular Weight526.62 g/mol
Exact Mass526.20
IUPAC NameN-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cn2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C25H30N6O5S/c1-15-13-31(14-16(2)36-15)18-6-7-21(26-11-18)20-12-27-23(28-17(3)32)10-22(20)29-24-8-19(35-4)9-25(30-24)37(5,33)34/h6-12,15-16H,13-14H2,1-5H3,(H2,27,28,29,30,32)/t15-,16+
InChIKeyFPPFOVFVSMJGMQ-IYBDPMFKSA-N
XLogP3.27
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.62
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918953
N-[5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918667
N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918469
N-[5-(5-fluoro-2-pyridinyl)-4-[[4-(2-methoxyethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166918750
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166918764
N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918615
N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918982
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
N-[4-[[4-[(2S)-2-hydroxypropoxy]-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918752
N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918359
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
N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 167439722

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The IUPAC name of 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) is N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cn2)nc(S(C)(=O)=O)c1.
What is the InChIKey of N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The InChIKey is FPPFOVFVSMJGMQ-IYBDPMFKSA-N. The full InChI is InChI=1S/C25H30N6O5S/c1-15-13-31(14-16(2)36-15)18-6-7-21(26-11-18)20-12-27-23(28-17(3)32)10-22(20)29-24-8-19(35-4)9-25(30-24)37(5,33)34/h6-12,15-16H,13-14H2,1-5H3,(H2,27,28,29,30,32)/t15-,16+.
What are the key properties of N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide has a molecular weight of 526.62 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 166918458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).