5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

C20H19FN4O2 — CID 56874343

IUPAC5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)c3cc(C#N)c(=O)[nH]c3C)cc(F)cc2c1C
InChIInChI=1S/C20H19FN4O2/c1-4-17-10(2)15-7-14(21)5-13(18(15)25-17)9-23-20(27)16-6-12(8-22)19(26)24-11(16)3/h5-7,25H,4,9H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXEKHUMUHNWBLSC-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.98
Rot. Bonds4

About 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56874343) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56874343
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)c3cc(C#N)c(=O)[nH]c3C)cc(F)cc2c1C
InChIInChI=1S/C20H19FN4O2/c1-4-17-10(2)15-7-14(21)5-13(18(15)25-17)9-23-20(27)16-6-12(8-22)19(26)24-11(16)3/h5-7,25H,4,9H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXEKHUMUHNWBLSC-UHFFFAOYSA-N
XLogP2.98
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-methoxypyridine-2-carboxamide
CID 56918169
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 42245388
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 56877501
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 70730545
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56872669
(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide
CID 95426875
5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 14490482
2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
CID 65335761
6-ethyl-2-oxo-5-(3-oxobutanoyl)-1H-pyridine-3-carbonitrile
CID 70492361
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine
CID 56880237
6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 70495107
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 56866510

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 56874343) is 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c2c(CNC(=O)c3cc(C#N)c(=O)[nH]c3C)cc(F)cc2c1C.
What is the InChIKey of 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XEKHUMUHNWBLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-4-17-10(2)15-7-14(21)5-13(18(15)25-17)9-23-20(27)16-6-12(8-22)19(26)24-11(16)3/h5-7,25H,4,9H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56874343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).