2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid

C17H23N3O3 — CID 156715457

IUPAC2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESCC(CCC(C)(C)C)NC(=O)c1cc2cc(C(=O)O)ncc2[nH]1
InChIInChI=1S/C17H23N3O3/c1-10(5-6-17(2,3)4)19-15(21)12-7-11-8-13(16(22)23)18-9-14(11)20-12/h7-10,20H,5-6H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyGXEAWHGWGHFWNB-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.21
Rot. Bonds5

About 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid

2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid (PubChem CID 156715457) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
PubChem CID156715457
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESCC(CCC(C)(C)C)NC(=O)c1cc2cc(C(=O)O)ncc2[nH]1
InChIInChI=1S/C17H23N3O3/c1-10(5-6-17(2,3)4)19-15(21)12-7-11-8-13(16(22)23)18-9-14(11)20-12/h7-10,20H,5-6H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyGXEAWHGWGHFWNB-UHFFFAOYSA-N
XLogP3.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 82404270
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176994015
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685418
N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 126425625
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(4-methoxybutan-2-yl)triazole-4-carboxamide
CID 160599108
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-pyrazol-1-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176993743
5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
CID 3921208
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide
CID 130468392

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid (CID 156715457) is 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid is CC(CCC(C)(C)C)NC(=O)c1cc2cc(C(=O)O)ncc2[nH]1.
What is the InChIKey of 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is GXEAWHGWGHFWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10(5-6-17(2,3)4)19-15(21)12-7-11-8-13(16(22)23)18-9-14(11)20-12/h7-10,20H,5-6H2,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylhexan-2-ylcarbamoyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 156715457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).