N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide

C19H16N4O — CID 167374731

IUPACN-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
SMILES[C-]#[N+]c1ccccc1-c1cc2cc(NC(=O)C3CC3)ncc2n1C
InChIInChI=1S/C19H16N4O/c1-20-15-6-4-3-5-14(15)16-9-13-10-18(21-11-17(13)23(16)2)22-19(24)12-7-8-12/h3-6,9-12H,7-8H2,2H3,(H,21,22,24)
InChIKeyZOFYZYJWTQOTJM-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.14
Rot. Bonds3

About N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide

N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 167374731) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID167374731
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
SMILES[C-]#[N+]c1ccccc1-c1cc2cc(NC(=O)C3CC3)ncc2n1C
InChIInChI=1S/C19H16N4O/c1-20-15-6-4-3-5-14(15)16-9-13-10-18(21-11-17(13)23(16)2)22-19(24)12-7-8-12/h3-6,9-12H,7-8H2,2H3,(H,21,22,24)
InChIKeyZOFYZYJWTQOTJM-UHFFFAOYSA-N
XLogP4.14
TPSA51.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 170233143
N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
CID 163252783
cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252451
2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 175469618
N-[1-methyl-2-[6-methyl-1-(2-trimethylsilylethoxymethyl)indol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
CID 167374759
cis-(1R,2R)-N-[2-(2-ethoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252239
N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
CID 167374682
cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252607
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-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097791
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252292
N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252255

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide (CID 167374731) is N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide is [C-]#[N+]c1ccccc1-c1cc2cc(NC(=O)C3CC3)ncc2n1C.
What is the InChIKey of N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is ZOFYZYJWTQOTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-20-15-6-4-3-5-14(15)16-9-13-10-18(21-11-17(13)23(16)2)22-19(24)12-7-8-12/h3-6,9-12H,7-8H2,2H3,(H,21,22,24).
What are the key properties of N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 316.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167374731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).