5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C15H20N4O2 — CID 11358197

IUPAC5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCC(=O)Nc1cnc2[nH]cc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C15H20N4O2/c1-4-5-13(20)19-10-6-11-12(15(21)18-9(2)3)8-17-14(11)16-7-10/h6-9H,4-5H2,1-3H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyHVJKETZAPUIIDZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.44
Rot. Bonds5

About 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11358197) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11358197
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCC(=O)Nc1cnc2[nH]cc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C15H20N4O2/c1-4-5-13(20)19-10-6-11-12(15(21)18-9(2)3)8-17-14(11)16-7-10/h6-9H,4-5H2,1-3H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyHVJKETZAPUIIDZ-UHFFFAOYSA-N
XLogP2.44
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11452252
5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11360578
5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11232835
2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 141470778
5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11313743
N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11384085
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041
4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 142333117
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11418316
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817

Frequently Asked Questions

What is the IUPAC name of 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 11358197) is 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CCCC(=O)Nc1cnc2[nH]cc(C(=O)NC(C)C)c2c1.
What is the InChIKey of 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is HVJKETZAPUIIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-5-13(20)19-10-6-11-12(15(21)18-9(2)3)8-17-14(11)16-7-10/h6-9H,4-5H2,1-3H3,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11358197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).