N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C19H21FN2O3 — CID 18427592

IUPACN-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2c[nH]c3c(c2=O)CCC3)c(F)c1
InChIInChI=1S/C19H21FN2O3/c1-11(2)25-13-7-6-12(16(20)8-13)9-22-19(24)15-10-21-17-5-3-4-14(17)18(15)23/h6-8,10-11H,3-5,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLXICSKXSWRZDPJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.72
Rot. Bonds5

About N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 18427592) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID18427592
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2c[nH]c3c(c2=O)CCC3)c(F)c1
InChIInChI=1S/C19H21FN2O3/c1-11(2)25-13-7-6-12(16(20)8-13)9-22-19(24)15-10-21-17-5-3-4-14(17)18(15)23/h6-8,10-11H,3-5,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLXICSKXSWRZDPJ-UHFFFAOYSA-N
XLogP2.72
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

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CID 139907271
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CID 18427603
N-[(4-chlorophenyl)methyl]-6,8-difluoro-4-oxo-7-propan-2-yloxy-1H-quinoline-3-carboxamide
CID 18698574
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CID 155258958
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704146
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CID 166360808
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CID 61032657
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
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2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
3-[[2-(2-fluoro-4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 18427592) is N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)c2c[nH]c3c(c2=O)CCC3)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is LXICSKXSWRZDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-11(2)25-13-7-6-12(16(20)8-13)9-22-19(24)15-10-21-17-5-3-4-14(17)18(15)23/h6-8,10-11H,3-5,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 18427592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).