N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine

C22H27N5O3S — CID 69005826

IUPACN-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine
SMILESCOc1c(C)nc2cnc(Nc3ccc(N4CCS(=O)(=O)CC4)cn3)cc2c1C(C)C
InChIInChI=1S/C22H27N5O3S/c1-14(2)21-17-11-20(24-13-18(17)25-15(3)22(21)30-4)26-19-6-5-16(12-23-19)27-7-9-31(28,29)10-8-27/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26)
InChIKeyIDTDCUSOLNQMLM-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.44
Rot. Bonds5

About N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine

N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine (PubChem CID 69005826) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine
PubChem CID69005826
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine
SMILESCOc1c(C)nc2cnc(Nc3ccc(N4CCS(=O)(=O)CC4)cn3)cc2c1C(C)C
InChIInChI=1S/C22H27N5O3S/c1-14(2)21-17-11-20(24-13-18(17)25-15(3)22(21)30-4)26-19-6-5-16(12-23-19)27-7-9-31(28,29)10-8-27/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26)
InChIKeyIDTDCUSOLNQMLM-UHFFFAOYSA-N
XLogP3.44
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine?
The IUPAC name of N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine (CID 69005826) is N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine.
What is the SMILES notation for N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine?
The canonical SMILES for N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine is COc1c(C)nc2cnc(Nc3ccc(N4CCS(=O)(=O)CC4)cn3)cc2c1C(C)C.
What is the InChIKey of N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine?
The InChIKey is IDTDCUSOLNQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-14(2)21-17-11-20(24-13-18(17)25-15(3)22(21)30-4)26-19-6-5-16(12-23-19)27-7-9-31(28,29)10-8-27/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26).
What are the key properties of N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine?
N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine has a molecular weight of 441.56 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]-3-methoxy-2-methyl-4-propan-2-yl-1,7-naphthyridin-6-amine is sourced from PubChem (CID 69005826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).