N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide

C19H19N3O3 — CID 58409030

IUPACN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)ncc2[nH]1
InChIInChI=1S/C19H19N3O3/c1-19(2,3)17(24)14-8-12-9-16(20-10-15(12)21-14)22-18(25)11-4-6-13(23)7-5-11/h4-10,21,23H,1-3H3,(H,20,22,25)
InChIKeyKTGIEHUQWIFZTQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.75
Rot. Bonds3

About N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide

N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide (PubChem CID 58409030) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
PubChem CID58409030
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)ncc2[nH]1
InChIInChI=1S/C19H19N3O3/c1-19(2,3)17(24)14-8-12-9-16(20-10-15(12)21-14)22-18(25)11-4-6-13(23)7-5-11/h4-10,21,23H,1-3H3,(H,20,22,25)
InChIKeyKTGIEHUQWIFZTQ-UHFFFAOYSA-N
XLogP3.75
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide (CID 58409030) is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide is CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)ncc2[nH]1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
The InChIKey is KTGIEHUQWIFZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-19(2,3)17(24)14-8-12-9-16(20-10-15(12)21-14)22-18(25)11-4-6-13(23)7-5-11/h4-10,21,23H,1-3H3,(H,20,22,25).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide is sourced from PubChem (CID 58409030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).