N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

C22H25N5O3S — CID 55786213

IUPACN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)sc2nc3n(c(=O)c12)CCC3
InChIInChI=1S/C22H25N5O3S/c1-12-10-26(11-13(2)30-12)16-7-6-15(9-23-16)24-20(28)19-14(3)18-21(31-19)25-17-5-4-8-27(17)22(18)29/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3,(H,24,28)
InChIKeyQOYSXARATUQLMK-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.97
Rot. Bonds3

About N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide (PubChem CID 55786213) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
PubChem CID55786213
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)sc2nc3n(c(=O)c12)CCC3
InChIInChI=1S/C22H25N5O3S/c1-12-10-26(11-13(2)30-12)16-7-6-15(9-23-16)24-20(28)19-14(3)18-21(31-19)25-17-5-4-8-27(17)22(18)29/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3,(H,24,28)
InChIKeyQOYSXARATUQLMK-UHFFFAOYSA-N
XLogP2.97
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 55973275
N-(3,5-difluorophenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 27055140
4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 26955897
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxylate
CID 7583893
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 24591946
N-(3-amino-4-methoxyphenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 119418975
4-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 22520669
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 55457043
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 24525571
N-(3-chloro-2-morpholin-4-ylphenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 24614270
methyl 2-[[3-[(4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carbonyl)amino]benzoyl]amino]acetate
CID 55962645
ethyl 5-methyl-1-[4-[(4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate
CID 31924990

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide?
The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide (CID 55786213) is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide.
What is the SMILES notation for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide?
The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide is Cc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)sc2nc3n(c(=O)c12)CCC3.
What is the InChIKey of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide?
The InChIKey is QOYSXARATUQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-12-10-26(11-13(2)30-12)16-7-6-15(9-23-16)24-20(28)19-14(3)18-21(31-19)25-17-5-4-8-27(17)22(18)29/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3,(H,24,28).
What are the key properties of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide?
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide is sourced from PubChem (CID 55786213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).