N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

C21H26N6O5S — CID 166918359

IUPACN-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCOC(C)COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C)n2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C21H26N6O5S/c1-13(31-4)12-32-15-8-20(25-21(9-15)33(5,29)30)24-18-10-19(23-14(2)28)22-11-16(18)17-6-7-27(3)26-17/h6-11,13H,12H2,1-5H3,(H2,22,23,24,25,28)
InChIKeyRNTVRCXLFIJIPL-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.40
Rot. Bonds9

About N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (PubChem CID 166918359) has the molecular formula C21H26N6O5S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
PubChem CID166918359
Molecular FormulaC21H26N6O5S
Molecular Weight474.54 g/mol
Exact Mass474.17
IUPAC NameN-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCOC(C)COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C)n2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C21H26N6O5S/c1-13(31-4)12-32-15-8-20(25-21(9-15)33(5,29)30)24-18-10-19(23-14(2)28)22-11-16(18)17-6-7-27(3)26-17/h6-11,13H,12H2,1-5H3,(H2,22,23,24,25,28)
InChIKeyRNTVRCXLFIJIPL-UHFFFAOYSA-N
XLogP2.40
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918982
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-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918499
N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 167439722
N-[4-[[4-[(2S)-2-hydroxypropoxy]-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918752
N-[4-[(3-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918696
N-[4-[[4-(cyanomethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-[1-(iodomethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 174188036
N-[5-(5-fluoro-2-pyridinyl)-4-[[4-(2-methoxyethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166918750
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
N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918661
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-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (CID 166918359) is N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is COC(C)COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C)n2)nc(S(C)(=O)=O)c1.
What is the InChIKey of N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The InChIKey is RNTVRCXLFIJIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O5S/c1-13(31-4)12-32-15-8-20(25-21(9-15)33(5,29)30)24-18-10-19(23-14(2)28)22-11-16(18)17-6-7-27(3)26-17/h6-11,13H,12H2,1-5H3,(H2,22,23,24,25,28).
What are the key properties of N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide has a molecular weight of 474.54 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).