2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide

C20H27N5O4S — CID 15458385

IUPAC2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)CC2CCC2)c(N)c1=O
InChIInChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26)
InChIKeyIJSYTGOVBUKMCA-UHFFFAOYSA-N
MW433.53 g/mol
LogP0.91
Rot. Bonds7

About 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide

2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide (PubChem CID 15458385) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide
PubChem CID15458385
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC Name2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)CC2CCC2)c(N)c1=O
InChIInChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26)
InChIKeyIJSYTGOVBUKMCA-UHFFFAOYSA-N
XLogP0.91
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide (CID 15458385) is 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)CC2CCC2)c(N)c1=O.
What is the InChIKey of 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide?
The InChIKey is IJSYTGOVBUKMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26).
What are the key properties of 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide?
2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 15458385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).