(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide

C25H25N5O3S — CID 91083502

IUPAC(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3=CC[C@H](NCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C25H25N5O3S/c1-33-23-9-7-18-24(30-23)19(10-11-26-18)29-25(32)16-3-5-17(6-4-16)27-13-15-2-8-21-20(12-15)28-22(31)14-34-21/h2-3,7-12,17,27H,4-6,13-14H2,1H3,(H,28,31)(H,26,29,32)/t17-/m0/s1
InChIKeyRMDGBLWAMXAHQO-KRWDZBQOSA-N
MW475.57 g/mol
LogP3.89
Rot. Bonds6

About (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide

(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide (PubChem CID 91083502) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide
PubChem CID91083502
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3=CC[C@H](NCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C25H25N5O3S/c1-33-23-9-7-18-24(30-23)19(10-11-26-18)29-25(32)16-3-5-17(6-4-16)27-13-15-2-8-21-20(12-15)28-22(31)14-34-21/h2-3,7-12,17,27H,4-6,13-14H2,1H3,(H,28,31)(H,26,29,32)/t17-/m0/s1
InChIKeyRMDGBLWAMXAHQO-KRWDZBQOSA-N
XLogP3.89
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide with MolForge

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Related Compounds

6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69377934
6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 11626868
(3S,4R)-3,4-dihydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide
CID 10164462
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
(4R)-4-amino-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexene-1-carboxamide
CID 91309040
N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 89311873
N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid
CID 131726283
(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
4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid
CID 159257059
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyliminomethyl]cyclohexane-1-carboxamide
CID 152951766
7-chloro-6-[[[(1S,2S)-2-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69375921
4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10343587

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide?
The IUPAC name of (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide (CID 91083502) is (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide.
What is the SMILES notation for (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide?
The canonical SMILES for (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide is COc1ccc2nccc(NC(=O)C3=CC[C@H](NCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1.
What is the InChIKey of (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide?
The InChIKey is RMDGBLWAMXAHQO-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-33-23-9-7-18-24(30-23)19(10-11-26-18)29-25(32)16-3-5-17(6-4-16)27-13-15-2-8-21-20(12-15)28-22(31)14-34-21/h2-3,7-12,17,27H,4-6,13-14H2,1H3,(H,28,31)(H,26,29,32)/t17-/m0/s1.
What are the key properties of (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide?
(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide is sourced from PubChem (CID 91083502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).