(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide

C23H24N6O2S — CID 91330368

IUPAC(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3=CC[C@H](NCN4C=c5cnsc5=CC4)CC3)c2n1
InChIInChI=1S/C23H24N6O2S/c1-31-21-7-6-18-22(28-21)19(8-10-24-18)27-23(30)15-2-4-17(5-3-15)25-14-29-11-9-20-16(13-29)12-26-32-20/h2,6-10,12-13,17,25H,3-5,11,14H2,1H3,(H,24,27,30)/t17-/m0/s1
InChIKeyXCMIPMYXTBOAMH-KRWDZBQOSA-N
MW448.55 g/mol
LogP1.59
Rot. Bonds6

About (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide

(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide (PubChem CID 91330368) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide
PubChem CID91330368
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3=CC[C@H](NCN4C=c5cnsc5=CC4)CC3)c2n1
InChIInChI=1S/C23H24N6O2S/c1-31-21-7-6-18-22(28-21)19(8-10-24-18)27-23(30)15-2-4-17(5-3-15)25-14-29-11-9-20-16(13-29)12-26-32-20/h2,6-10,12-13,17,25H,3-5,11,14H2,1H3,(H,24,27,30)/t17-/m0/s1
InChIKeyXCMIPMYXTBOAMH-KRWDZBQOSA-N
XLogP1.59
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide with MolForge

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Related Compounds

(4R)-4-amino-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexene-1-carboxamide
CID 91309040
(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide
CID 91083502
4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide
CID 22244402
5-amino-N-(6-methoxy-1,5-naphthyridin-4-yl)-6-oxopiperidine-2-carboxamide
CID 57418806
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69378082
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[methyl(phenylcarbamoyl)amino]piperidine-1-carboxamide
CID 91451664
6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69377934
ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate
CID 57043032
[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid
CID 69444143
1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
CID 10391068
(1R)-4-[(7-fluoro-3-oxo-4,9-dihydro-[1,4]thiazino[3,2-b]azepin-6-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)cycloheptane-1-carboxamide;methanol
CID 142817627
[1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 69375123

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide?
The IUPAC name of (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide (CID 91330368) is (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide.
What is the SMILES notation for (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide?
The canonical SMILES for (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide is COc1ccc2nccc(NC(=O)C3=CC[C@H](NCN4C=c5cnsc5=CC4)CC3)c2n1.
What is the InChIKey of (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide?
The InChIKey is XCMIPMYXTBOAMH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-31-21-7-6-18-22(28-21)19(8-10-24-18)27-23(30)15-2-4-17(5-3-15)25-14-29-11-9-20-16(13-29)12-26-32-20/h2,6-10,12-13,17,25H,3-5,11,14H2,1H3,(H,24,27,30)/t17-/m0/s1.
What are the key properties of (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide?
(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-(6H-[1,2]thiazolo[4,5-c]pyridin-5-ylmethylamino)cyclohexene-1-carboxamide is sourced from PubChem (CID 91330368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).