N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine

C25H25N5OS — CID 144727335

IUPACN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(N5CCS(=O)CC5)ncc34)cc2)ccn1
InChIInChI=1S/C25H25N5OS/c1-18-14-21(6-8-26-18)20-4-2-19(3-5-20)16-29-25-23-17-28-24(15-22(23)7-9-27-25)30-10-12-32(31)13-11-30/h2-9,14-15,17H,10-13,16H2,1H3,(H,27,29)
InChIKeyIHZPYGJPMZLFIW-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.18
Rot. Bonds5

About N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine

N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine (PubChem CID 144727335) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine
PubChem CID144727335
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(N5CCS(=O)CC5)ncc34)cc2)ccn1
InChIInChI=1S/C25H25N5OS/c1-18-14-21(6-8-26-18)20-4-2-19(3-5-20)16-29-25-23-17-28-24(15-22(23)7-9-27-25)30-10-12-32(31)13-11-30/h2-9,14-15,17H,10-13,16H2,1H3,(H,27,29)
InChIKeyIHZPYGJPMZLFIW-UHFFFAOYSA-N
XLogP4.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine?
The IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine (CID 144727335) is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine.
What is the SMILES notation for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine?
The canonical SMILES for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine is Cc1cc(-c2ccc(CNc3nccc4cc(N5CCS(=O)CC5)ncc34)cc2)ccn1.
What is the InChIKey of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine?
The InChIKey is IHZPYGJPMZLFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c1-18-14-21(6-8-26-18)20-4-2-19(3-5-20)16-29-25-23-17-28-24(15-22(23)7-9-27-25)30-10-12-32(31)13-11-30/h2-9,14-15,17H,10-13,16H2,1H3,(H,27,29).
What are the key properties of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine?
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine has a molecular weight of 443.58 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 144727335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).