N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

C20H21N3O — CID 170233143

IUPACN-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cc3cnc(NC(=O)C4CC4)cc3n2C)c(C)c1
InChIInChI=1S/C20H21N3O/c1-12-4-7-16(13(2)8-12)18-9-15-11-21-19(10-17(15)23(18)3)22-20(24)14-5-6-14/h4,7-11,14H,5-6H2,1-3H3,(H,21,22,24)
InChIKeyLDIMMNUWSVOXJE-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.21
Rot. Bonds3

About N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 170233143) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID170233143
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cc3cnc(NC(=O)C4CC4)cc3n2C)c(C)c1
InChIInChI=1S/C20H21N3O/c1-12-4-7-16(13(2)8-12)18-9-15-11-21-19(10-17(15)23(18)3)22-20(24)14-5-6-14/h4,7-11,14H,5-6H2,1-3H3,(H,21,22,24)
InChIKeyLDIMMNUWSVOXJE-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097791
N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
CID 167374731
N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123675
N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123608
cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 170238276
N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
CID 163252783
N-[1-methyl-2-[6-methyl-1-(2-trimethylsilylethoxymethyl)indol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
CID 167374759
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252292
N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097851
N-[2-[3-[6-[5-(cyclopropanecarbonylamino)-1-methylpyrrolo[2,3-c]pyridin-2-yl]-5-methyl-3H-benzimidazol-1-ium-1-yl]-4-methyl-1H-indazol-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
CID 163252798
N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
CID 167374682
N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (CID 170233143) is N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is Cc1ccc(-c2cc3cnc(NC(=O)C4CC4)cc3n2C)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is LDIMMNUWSVOXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-12-4-7-16(13(2)8-12)18-9-15-11-21-19(10-17(15)23(18)3)22-20(24)14-5-6-14/h4,7-11,14H,5-6H2,1-3H3,(H,21,22,24).
What are the key properties of N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170233143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).