N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide

C25H31N5O6S — CID 166918764

IUPACN-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
SMILESCOC(C)COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(C(C)(C)O)cn2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C25H31N5O6S/c1-15(35-5)14-36-18-9-23(30-24(10-18)37(6,33)34)29-21-11-22(28-16(2)31)27-13-19(21)20-8-7-17(12-26-20)25(3,4)32/h7-13,15,32H,14H2,1-6H3,(H2,27,28,29,30,31)
InChIKeyZEHIDSBKMACQTO-UHFFFAOYSA-N
MW529.62 g/mol
LogP3.29
Rot. Bonds10

About N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide

N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide (PubChem CID 166918764) has the molecular formula C25H31N5O6S and a molecular weight of 529.62 g/mol. Its IUPAC name is N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
PubChem CID166918764
Molecular FormulaC25H31N5O6S
Molecular Weight529.62 g/mol
Exact Mass529.20
IUPAC NameN-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
SMILESCOC(C)COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(C(C)(C)O)cn2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C25H31N5O6S/c1-15(35-5)14-36-18-9-23(30-24(10-18)37(6,33)34)29-21-11-22(28-16(2)31)27-13-19(21)20-8-7-17(12-26-20)25(3,4)32/h7-13,15,32H,14H2,1-6H3,(H2,27,28,29,30,31)
InChIKeyZEHIDSBKMACQTO-UHFFFAOYSA-N
XLogP3.29
TPSA152.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918359
N-[4-[[4-[(2S)-2-hydroxypropoxy]-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918752
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-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918948
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonyl-5-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 166918885
N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918982
N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166919046
[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188049
N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 167439722
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-[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

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide (CID 166918764) is N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide is COC(C)COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(C(C)(C)O)cn2)nc(S(C)(=O)=O)c1.
What is the InChIKey of N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide?
The InChIKey is ZEHIDSBKMACQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O6S/c1-15(35-5)14-36-18-9-23(30-24(10-18)37(6,33)34)29-21-11-22(28-16(2)31)27-13-19(21)20-8-7-17(12-26-20)25(3,4)32/h7-13,15,32H,14H2,1-6H3,(H2,27,28,29,30,31).
What are the key properties of N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide?
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide has a molecular weight of 529.62 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 166918764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).