(3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

C20H27N3O2 — CID 124815692

IUPAC(3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@@H]1CO[C@@H]2CCN(Cc3cn(C)c4ccccc34)C[C@@H]2C1
InChIInChI=1S/C20H27N3O2/c1-21-20(24)15-9-14-11-23(8-7-19(14)25-13-15)12-16-10-22(2)18-6-4-3-5-17(16)18/h3-6,10,14-15,19H,7-9,11-13H2,1-2H3,(H,21,24)/t14-,15-,19+/m0/s1
InChIKeyGGLQRADUJKHFSG-YZVOILCLSA-N
MW341.45 g/mol
LogP2.15
Rot. Bonds3

About (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

(3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (PubChem CID 124815692) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
PubChem CID124815692
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@@H]1CO[C@@H]2CCN(Cc3cn(C)c4ccccc34)C[C@@H]2C1
InChIInChI=1S/C20H27N3O2/c1-21-20(24)15-9-14-11-23(8-7-19(14)25-13-15)12-16-10-22(2)18-6-4-3-5-17(16)18/h3-6,10,14-15,19H,7-9,11-13H2,1-2H3,(H,21,24)/t14-,15-,19+/m0/s1
InChIKeyGGLQRADUJKHFSG-YZVOILCLSA-N
XLogP2.15
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide with MolForge

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Related Compounds

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CID 124802231
(3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 127023401
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1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
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N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
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(4aR,7aS)-6-[(1-methylindol-3-yl)methyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazin-3-one
CID 56774958
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 95056572
N-[1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036166
N,N-dimethyl-3-[(3S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
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4-[(1-methylindol-3-yl)methyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The IUPAC name of (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (CID 124815692) is (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is CNC(=O)[C@@H]1CO[C@@H]2CCN(Cc3cn(C)c4ccccc34)C[C@@H]2C1.
What is the InChIKey of (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The InChIKey is GGLQRADUJKHFSG-YZVOILCLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-21-20(24)15-9-14-11-23(8-7-19(14)25-13-15)12-16-10-22(2)18-6-4-3-5-17(16)18/h3-6,10,14-15,19H,7-9,11-13H2,1-2H3,(H,21,24)/t14-,15-,19+/m0/s1.
What are the key properties of (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
(3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 124815692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).