3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide

C27H28N4O — CID 164553956

IUPAC3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1cc(-c2ccc3c(C)c(-c4cccc(C(=O)N[C@@H]5CCNC5)c4)[nH]c3c2)cc(C)n1
InChIInChI=1S/C27H28N4O/c1-16-11-22(12-17(2)29-16)19-7-8-24-18(3)26(31-25(24)14-19)20-5-4-6-21(13-20)27(32)30-23-9-10-28-15-23/h4-8,11-14,23,28,31H,9-10,15H2,1-3H3,(H,30,32)/t23-/m1/s1
InChIKeyMNPOPSLDFSDPEO-HSZRJFAPSA-N
MW424.55 g/mol
LogP4.91
Rot. Bonds4

About 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide

3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 164553956) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID164553956
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1cc(-c2ccc3c(C)c(-c4cccc(C(=O)N[C@@H]5CCNC5)c4)[nH]c3c2)cc(C)n1
InChIInChI=1S/C27H28N4O/c1-16-11-22(12-17(2)29-16)19-7-8-24-18(3)26(31-25(24)14-19)20-5-4-6-21(13-20)27(32)30-23-9-10-28-15-23/h4-8,11-14,23,28,31H,9-10,15H2,1-3H3,(H,30,32)/t23-/m1/s1
InChIKeyMNPOPSLDFSDPEO-HSZRJFAPSA-N
XLogP4.91
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide with MolForge

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide
CID 164553821
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-(3-piperazin-1-ylsulfonylphenyl)-1H-indole
CID 164553635
N-[(3R,4R)-4-hydroxypiperidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide;dihydrochloride
CID 154903592
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-N-pyrrolidin-3-ylbenzamide
CID 122626915
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
CID 164553706
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide
CID 119452479
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712
5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119452546

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 164553956) is 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide is Cc1cc(-c2ccc3c(C)c(-c4cccc(C(=O)N[C@@H]5CCNC5)c4)[nH]c3c2)cc(C)n1.
What is the InChIKey of 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is MNPOPSLDFSDPEO-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H28N4O/c1-16-11-22(12-17(2)29-16)19-7-8-24-18(3)26(31-25(24)14-19)20-5-4-6-21(13-20)27(32)30-23-9-10-28-15-23/h4-8,11-14,23,28,31H,9-10,15H2,1-3H3,(H,30,32)/t23-/m1/s1.
What are the key properties of 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide?
3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 424.55 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 164553956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).