2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide

C23H21N3O — CID 92604302

IUPAC2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N[C@H](c3ccccc3)c3ccncc3)cccc2c1C
InChIInChI=1S/C23H21N3O/c1-15-16(2)25-22-19(15)9-6-10-20(22)23(27)26-21(17-7-4-3-5-8-17)18-11-13-24-14-12-18/h3-14,21,25H,1-2H3,(H,26,27)/t21-/m1/s1
InChIKeyUDNVNEJSBWDWFE-OAQYLSRUSA-N
MW355.44 g/mol
LogP4.70
Rot. Bonds4

About 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide

2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide (PubChem CID 92604302) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
PubChem CID92604302
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N[C@H](c3ccccc3)c3ccncc3)cccc2c1C
InChIInChI=1S/C23H21N3O/c1-15-16(2)25-22-19(15)9-6-10-20(22)23(27)26-21(17-7-4-3-5-8-17)18-11-13-24-14-12-18/h3-14,21,25H,1-2H3,(H,26,27)/t21-/m1/s1
InChIKeyUDNVNEJSBWDWFE-OAQYLSRUSA-N
XLogP4.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
(2S)-2-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95218140
2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide
CID 16673227
N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 43060113
1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
CID 47383567
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 86979107
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 78852520
2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 78849670

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide (CID 92604302) is 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)N[C@H](c3ccccc3)c3ccncc3)cccc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide?
The InChIKey is UDNVNEJSBWDWFE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-16(2)25-22-19(15)9-6-10-20(22)23(27)26-21(17-7-4-3-5-8-17)18-11-13-24-14-12-18/h3-14,21,25H,1-2H3,(H,26,27)/t21-/m1/s1.
What are the key properties of 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide?
2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 92604302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).