6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide

C23H21N5O3 — CID 131997386

IUPAC6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc(Cc2cccc3[nH]cc(C#N)c23)n1
InChIInChI=1S/C23H21N5O3/c1-25-23(30)19-7-13(22(29)28-21-16-10-31-11-17(16)21)6-15(27-19)5-12-3-2-4-18-20(12)14(8-24)9-26-18/h2-4,6-7,9,16-17,21,26H,5,10-11H2,1H3,(H,25,30)(H,28,29)/t16-,17+,21?
InChIKeyJBCHBYXLJXLBQE-QRTHJKPMSA-N
MW415.45 g/mol
LogP1.76
Rot. Bonds5

About 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide

6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide (PubChem CID 131997386) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
PubChem CID131997386
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc(Cc2cccc3[nH]cc(C#N)c23)n1
InChIInChI=1S/C23H21N5O3/c1-25-23(30)19-7-13(22(29)28-21-16-10-31-11-17(16)21)6-15(27-19)5-12-3-2-4-18-20(12)14(8-24)9-26-18/h2-4,6-7,9,16-17,21,26H,5,10-11H2,1H3,(H,25,30)(H,28,29)/t16-,17+,21?
InChIKeyJBCHBYXLJXLBQE-QRTHJKPMSA-N
XLogP1.76
TPSA119.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide with MolForge

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Related Compounds

4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 155238143
6-(2-cyano-1-phenylethyl)-2-N-methyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
CID 131997416
4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 145407052
2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
CID 131997114
6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817
6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-ylidene]pyridine-2,4-dicarboxamide
CID 163909533
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
CID 131997123
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 138571832
6-[(R)-methoxy(phenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 131996900
6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide
CID 151593325
6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 138706673

Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide?
The IUPAC name of 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide (CID 131997386) is 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc(Cc2cccc3[nH]cc(C#N)c23)n1.
What is the InChIKey of 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide?
The InChIKey is JBCHBYXLJXLBQE-QRTHJKPMSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-25-23(30)19-7-13(22(29)28-21-16-10-31-11-17(16)21)6-15(27-19)5-12-3-2-4-18-20(12)14(8-24)9-26-18/h2-4,6-7,9,16-17,21,26H,5,10-11H2,1H3,(H,25,30)(H,28,29)/t16-,17+,21?.
What are the key properties of 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide?
6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide has a molecular weight of 415.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 131997386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).