1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide

C21H17FN2O2 — CID 160632843

IUPAC1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)Cc2c-3ccnc2F)c1
InChIInChI=1S/C21H17FN2O2/c1-26-16-4-2-3-13(9-16)12-24-21(25)14-5-6-17-15(10-14)11-19-18(17)7-8-23-20(19)22/h2-10H,11-12H2,1H3,(H,24,25)
InChIKeyRIDKITKXHPLADG-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.73
Rot. Bonds4

About 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide

1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide (PubChem CID 160632843) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide
PubChem CID160632843
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)Cc2c-3ccnc2F)c1
InChIInChI=1S/C21H17FN2O2/c1-26-16-4-2-3-13(9-16)12-24-21(25)14-5-6-17-15(10-14)11-19-18(17)7-8-23-20(19)22/h2-10H,11-12H2,1H3,(H,24,25)
InChIKeyRIDKITKXHPLADG-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(5-methyl-1H-pyrazol-4-yl)benzamide
CID 90353897

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide?
The IUPAC name of 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide (CID 160632843) is 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide.
What is the SMILES notation for 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide?
The canonical SMILES for 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide is COc1cccc(CNC(=O)c2ccc3c(c2)Cc2c-3ccnc2F)c1.
What is the InChIKey of 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide?
The InChIKey is RIDKITKXHPLADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-26-16-4-2-3-13(9-16)12-24-21(25)14-5-6-17-15(10-14)11-19-18(17)7-8-23-20(19)22/h2-10H,11-12H2,1H3,(H,24,25).
What are the key properties of 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide?
1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide is sourced from PubChem (CID 160632843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).