N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide

C31H39N5O4S — CID 123904867

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide
SMILESCCC1=C(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2N(C(C)C)C1
InChIInChI=1S/C31H39N5O4S/c1-9-22-17-36(18(2)3)29-28(21(22)6)25(30(37)32-16-26-19(4)14-20(5)33-31(26)38)15-27(34-29)23-10-12-24(13-11-23)41(39,40)35(7)8/h10-15,18H,9,16-17H2,1-8H3,(H,32,37)(H,33,38)
InChIKeyAAXJHMOAHOPHHR-UHFFFAOYSA-N
MW577.75 g/mol
LogP4.65
Rot. Bonds8

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide (PubChem CID 123904867) has the molecular formula C31H39N5O4S and a molecular weight of 577.75 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide
PubChem CID123904867
Molecular FormulaC31H39N5O4S
Molecular Weight577.75 g/mol
Exact Mass577.27
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide
SMILESCCC1=C(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2N(C(C)C)C1
InChIInChI=1S/C31H39N5O4S/c1-9-22-17-36(18(2)3)29-28(21(22)6)25(30(37)32-16-26-19(4)14-20(5)33-31(26)38)15-27(34-29)23-10-12-24(13-11-23)41(39,40)35(7)8/h10-15,18H,9,16-17H2,1-8H3,(H,32,37)(H,33,38)
InChIKeyAAXJHMOAHOPHHR-UHFFFAOYSA-N
XLogP4.65
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.75
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide (CID 123904867) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide is CCC1=C(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2N(C(C)C)C1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide?
The InChIKey is AAXJHMOAHOPHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O4S/c1-9-22-17-36(18(2)3)29-28(21(22)6)25(30(37)32-16-26-19(4)14-20(5)33-31(26)38)15-27(34-29)23-10-12-24(13-11-23)41(39,40)35(7)8/h10-15,18H,9,16-17H2,1-8H3,(H,32,37)(H,33,38).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide has a molecular weight of 577.75 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-(dimethylsulfamoyl)phenyl]-6-ethyl-5-methyl-8-propan-2-yl-7H-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 123904867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).