N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide

C16H16FN3O — CID 169240977

IUPACN-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide
SMILESO=CNCCc1cc2c(c(-c3ccc(F)cc3)n1)NCC2
InChIInChI=1S/C16H16FN3O/c17-13-3-1-11(2-4-13)16-15-12(5-8-19-15)9-14(20-16)6-7-18-10-21/h1-4,9-10,19H,5-8H2,(H,18,21)
InChIKeyIQULRDCUCNGZOD-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.14
Rot. Bonds5

About N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide

N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide (PubChem CID 169240977) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide
PubChem CID169240977
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide
SMILESO=CNCCc1cc2c(c(-c3ccc(F)cc3)n1)NCC2
InChIInChI=1S/C16H16FN3O/c17-13-3-1-11(2-4-13)16-15-12(5-8-19-15)9-14(20-16)6-7-18-10-21/h1-4,9-10,19H,5-8H2,(H,18,21)
InChIKeyIQULRDCUCNGZOD-UHFFFAOYSA-N
XLogP2.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[7-(4-fluorophenyl)-5-[2-(methylamino)ethyl]-2,3-dihydrofuro[2,3-c]pyridin-3-yl]formamide
CID 156718310
(E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane
CID 156718106
6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
CID 116698427
N-[2-[5-ethoxy-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-1-(methylamino)isoquinoline-6-carboxamide;formamide;methane
CID 165395665
N-(2-pyrimidin-4-ylethyl)formamide
CID 57044040
3-(2,3-dihydro-1H-indol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198538
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide
CID 155742139
N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide
CID 156872756
8-chloro-N-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline-6-carboxamide;formamide
CID 169241478
N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
4-fluoro-2-(4-fluorophenyl)pyridine-3-carbaldehyde
CID 118993010

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide?
The IUPAC name of N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide (CID 169240977) is N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide?
The canonical SMILES for N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide is O=CNCCc1cc2c(c(-c3ccc(F)cc3)n1)NCC2.
What is the InChIKey of N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide?
The InChIKey is IQULRDCUCNGZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-13-3-1-11(2-4-13)16-15-12(5-8-19-15)9-14(20-16)6-7-18-10-21/h1-4,9-10,19H,5-8H2,(H,18,21).
What are the key properties of N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide?
N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide has a molecular weight of 285.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]ethyl]formamide is sourced from PubChem (CID 169240977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).