1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide

C16H14FN3O — CID 141316423

IUPAC1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCc1c(C(N)=O)n(Cc2cccc(F)c2)c2cccnc12
InChIInChI=1S/C16H14FN3O/c1-10-14-13(6-3-7-19-14)20(15(10)16(18)21)9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H2,18,21)
InChIKeySGVOMUKLDBYUJE-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.63
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide

1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 141316423) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID141316423
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCc1c(C(N)=O)n(Cc2cccc(F)c2)c2cccnc12
InChIInChI=1S/C16H14FN3O/c1-10-14-13(6-3-7-19-14)20(15(10)16(18)21)9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H2,18,21)
InChIKeySGVOMUKLDBYUJE-UHFFFAOYSA-N
XLogP2.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16951818
1-[(3-fluorophenyl)methyl]-3-methylindole-2-carboxamide;1-[(3-fluorophenyl)methyl]-6-(trifluoromethyl)indole-2-carboxylic acid
CID 158253261
1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16841979
4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 160918189
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
CID 54135436
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
CID 143011204
5-ethoxycarbonyl-1-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-carboxylic acid
CID 82017904
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
CID 11683091
2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 60789844
1-[(3-fluorophenyl)methyl]benzotriazole-4-carboxylic acid
CID 115541625

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide (CID 141316423) is 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide is Cc1c(C(N)=O)n(Cc2cccc(F)c2)c2cccnc12.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is SGVOMUKLDBYUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-14-13(6-3-7-19-14)20(15(10)16(18)21)9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H2,18,21).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide?
1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 141316423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).