7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

C26H24N4O — CID 159355926

IUPAC7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
SMILESCc1cc(C2=NCc3cc4c(cc32)N=C(C(=O)N[C@H](C)c2ccccc2)C4)cc(C)n1
InChIInChI=1S/C26H24N4O/c1-15-9-20(10-16(2)28-15)25-22-13-23-19(11-21(22)14-27-25)12-24(30-23)26(31)29-17(3)18-7-5-4-6-8-18/h4-11,13,17H,12,14H2,1-3H3,(H,29,31)/t17-/m1/s1
InChIKeyWKEMGPPDNRGMCE-QGZVFWFLSA-N
MW408.51 g/mol
LogP4.56
Rot. Bonds4

About 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (PubChem CID 159355926) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.

Molecular Properties

Compound Name7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
PubChem CID159355926
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
SMILESCc1cc(C2=NCc3cc4c(cc32)N=C(C(=O)N[C@H](C)c2ccccc2)C4)cc(C)n1
InChIInChI=1S/C26H24N4O/c1-15-9-20(10-16(2)28-15)25-22-13-23-19(11-21(22)14-27-25)12-24(30-23)26(31)29-17(3)18-7-5-4-6-8-18/h4-11,13,17H,12,14H2,1-3H3,(H,29,31)/t17-/m1/s1
InChIKeyWKEMGPPDNRGMCE-QGZVFWFLSA-N
XLogP4.56
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide with MolForge

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Related Compounds

7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 159355923
N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 159163321
7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 157296115
N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 160510862
N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide
CID 160653911
2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone
CID 158243670
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 158888196
2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 147064037
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The IUPAC name of 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (CID 159355926) is 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.
What is the SMILES notation for 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The canonical SMILES for 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is Cc1cc(C2=NCc3cc4c(cc32)N=C(C(=O)N[C@H](C)c2ccccc2)C4)cc(C)n1.
What is the InChIKey of 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The InChIKey is WKEMGPPDNRGMCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24N4O/c1-15-9-20(10-16(2)28-15)25-22-13-23-19(11-21(22)14-27-25)12-24(30-23)26(31)29-17(3)18-7-5-4-6-8-18/h4-11,13,17H,12,14H2,1-3H3,(H,29,31)/t17-/m1/s1.
What are the key properties of 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is sourced from PubChem (CID 159355926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).