N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide

C22H30N4O2S — CID 140547047

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide
SMILESCc1cc2c(cn1)cc(C1CC(NC(=O)C3CSC(C)N3)CCC1C)c(=O)n2C
InChIInChI=1S/C22H30N4O2S/c1-12-5-6-16(25-21(27)19-11-29-14(3)24-19)9-17(12)18-8-15-10-23-13(2)7-20(15)26(4)22(18)28/h7-8,10,12,14,16-17,19,24H,5-6,9,11H2,1-4H3,(H,25,27)
InChIKeyITYDKLGRSUPDKE-UHFFFAOYSA-N
MW414.58 g/mol
LogP2.68
Rot. Bonds3

About N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 140547047) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID140547047
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide
SMILESCc1cc2c(cn1)cc(C1CC(NC(=O)C3CSC(C)N3)CCC1C)c(=O)n2C
InChIInChI=1S/C22H30N4O2S/c1-12-5-6-16(25-21(27)19-11-29-14(3)24-19)9-17(12)18-8-15-10-23-13(2)7-20(15)26(4)22(18)28/h7-8,10,12,14,16-17,19,24H,5-6,9,11H2,1-4H3,(H,25,27)
InChIKeyITYDKLGRSUPDKE-UHFFFAOYSA-N
XLogP2.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide (CID 140547047) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide is Cc1cc2c(cn1)cc(C1CC(NC(=O)C3CSC(C)N3)CCC1C)c(=O)n2C.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ITYDKLGRSUPDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-12-5-6-16(25-21(27)19-11-29-14(3)24-19)9-17(12)18-8-15-10-23-13(2)7-20(15)26(4)22(18)28/h7-8,10,12,14,16-17,19,24H,5-6,9,11H2,1-4H3,(H,25,27).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 140547047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).