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

C19H22N6O4S — CID 166918499

IUPACN-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCOCc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C)n2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C19H22N6O4S/c1-12(26)21-17-9-16(14(10-20-17)15-5-6-25(2)24-15)22-18-7-13(11-29-3)8-19(23-18)30(4,27)28/h5-10H,11H2,1-4H3,(H2,20,21,22,23,26)
InChIKeyGAJNFURNBCSJJH-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.13
Rot. Bonds7

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

N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (PubChem CID 166918499) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
PubChem CID166918499
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC NameN-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCOCc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C)n2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C19H22N6O4S/c1-12(26)21-17-9-16(14(10-20-17)15-5-6-25(2)24-15)22-18-7-13(11-29-3)8-19(23-18)30(4,27)28/h5-10H,11H2,1-4H3,(H2,20,21,22,23,26)
InChIKeyGAJNFURNBCSJJH-UHFFFAOYSA-N
XLogP2.13
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide with MolForge

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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-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918359
N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918615
N-[4-[(3-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918696
N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918388
N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918661
N-[5-(methoxymethyl)-4-[[6-methoxy-5-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 170731141
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-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918333
N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730760
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (CID 166918499) is N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is COCc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C)n2)nc(S(C)(=O)=O)c1.
What is the InChIKey of N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The InChIKey is GAJNFURNBCSJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-12(26)21-17-9-16(14(10-20-17)15-5-6-25(2)24-15)22-18-7-13(11-29-3)8-19(23-18)30(4,27)28/h5-10H,11H2,1-4H3,(H2,20,21,22,23,26).
What are the key properties of N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide has a molecular weight of 430.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).