N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C23H20FN3O2 — CID 56862846

IUPACN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)c[nH]1
InChIInChI=1S/C23H20FN3O2/c1-13-9-21(28)18(12-25-13)23(29)26-11-15-7-8-20-17(10-15)14(2)22(27-20)16-5-3-4-6-19(16)24/h3-10,12,27H,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDVVUINYYSJBKCF-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.21
Rot. Bonds4

About N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 56862846) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID56862846
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)c[nH]1
InChIInChI=1S/C23H20FN3O2/c1-13-9-21(28)18(12-25-13)23(29)26-11-15-7-8-20-17(10-15)14(2)22(27-20)16-5-3-4-6-19(16)24/h3-10,12,27H,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDVVUINYYSJBKCF-UHFFFAOYSA-N
XLogP4.21
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
CID 56864638
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 42288017
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 70730908
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42525375
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56868490
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide
CID 175822055
2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine
CID 56876919
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 56865929
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 56874111
N-(2-fluorophenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 110858598
N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen
CID 156814190

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 56862846) is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)c[nH]1.
What is the InChIKey of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DVVUINYYSJBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-13-9-21(28)18(12-25-13)23(29)26-11-15-7-8-20-17(10-15)14(2)22(27-20)16-5-3-4-6-19(16)24/h3-10,12,27H,11H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56862846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).