5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C17H24N4O3 — CID 11232835

IUPAC5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c[nH]c2ncc(NC(=O)CC(C)(C)C)cc12
InChIInChI=1S/C17H24N4O3/c1-17(2,3)8-14(22)21-11-7-12-13(10-20-15(12)19-9-11)16(23)18-5-6-24-4/h7,9-10H,5-6,8H2,1-4H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeySHWZYVVPXSFCHT-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.31
Rot. Bonds6

About 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11232835) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11232835
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c[nH]c2ncc(NC(=O)CC(C)(C)C)cc12
InChIInChI=1S/C17H24N4O3/c1-17(2,3)8-14(22)21-11-7-12-13(10-20-15(12)19-9-11)16(23)18-5-6-24-4/h7,9-10H,5-6,8H2,1-4H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeySHWZYVVPXSFCHT-UHFFFAOYSA-N
XLogP2.31
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11313743
N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11418316
5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11358197
5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11452252
N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11384085
5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3721229
N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696535
N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
CID 103730445
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
methyl 2-[5-(3,3-dimethylbutanoylamino)-1H-indol-3-yl]acetate
CID 129128632

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 11232835) is 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COCCNC(=O)c1c[nH]c2ncc(NC(=O)CC(C)(C)C)cc12.
What is the InChIKey of 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is SHWZYVVPXSFCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)8-14(22)21-11-7-12-13(10-20-15(12)19-9-11)16(23)18-5-6-24-4/h7,9-10H,5-6,8H2,1-4H3,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11232835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).