N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide

C16H14N4O2 — CID 156811131

IUPACN-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(-n2ccc3cc(C=O)cnc32)nc1
InChIInChI=1S/C16H14N4O2/c1-2-17-16(22)13-3-4-14(18-9-13)20-6-5-12-7-11(10-21)8-19-15(12)20/h3-10H,2H2,1H3,(H,17,22)
InChIKeyIFRNNKKJCBCATG-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide

N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide (PubChem CID 156811131) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide
PubChem CID156811131
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(-n2ccc3cc(C=O)cnc32)nc1
InChIInChI=1S/C16H14N4O2/c1-2-17-16(22)13-3-4-14(18-9-13)20-6-5-12-7-11(10-21)8-19-15(12)20/h3-10H,2H2,1H3,(H,17,22)
InChIKeyIFRNNKKJCBCATG-UHFFFAOYSA-N
XLogP1.98
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-1-methylpiperidine;ethane;6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxylic acid
CID 176661233
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156810814
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile
CID 163260904
4,4-difluoro-1-methylpiperidine;3-[[4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)benzoyl]amino]-3-methylbutanoic acid
CID 163260929
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 134699696
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 86980602
N-ethyl-2-(5-formylindol-1-yl)acetamide
CID 102910515

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide (CID 156811131) is N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide is CCNC(=O)c1ccc(-n2ccc3cc(C=O)cnc32)nc1.
What is the InChIKey of N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide?
The InChIKey is IFRNNKKJCBCATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-2-17-16(22)13-3-4-14(18-9-13)20-6-5-12-7-11(10-21)8-19-15(12)20/h3-10H,2H2,1H3,(H,17,22).
What are the key properties of N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide?
N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 156811131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).