5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide

C16H17N5O2 — CID 56901483

IUPAC5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide
SMILESCOCCNc1cc(-c2cncc(C(N)=O)c2)c2cc[nH]c2n1
InChIInChI=1S/C16H17N5O2/c1-23-5-4-19-14-7-13(12-2-3-20-16(12)21-14)10-6-11(15(17)22)9-18-8-10/h2-3,6-9H,4-5H2,1H3,(H2,17,22)(H2,19,20,21)
InChIKeyQFTWKKMSBXYHBJ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.78
Rot. Bonds6

About 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide

5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide (PubChem CID 56901483) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide
PubChem CID56901483
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide
SMILESCOCCNc1cc(-c2cncc(C(N)=O)c2)c2cc[nH]c2n1
InChIInChI=1S/C16H17N5O2/c1-23-5-4-19-14-7-13(12-2-3-20-16(12)21-14)10-6-11(15(17)22)9-18-8-10/h2-3,6-9H,4-5H2,1H3,(H2,17,22)(H2,19,20,21)
InChIKeyQFTWKKMSBXYHBJ-UHFFFAOYSA-N
XLogP1.78
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 56912389
3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
CID 56909607
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906336
4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56896945
4-[5-(1-methoxyethenyl)-3-pyridinyl]-1H-indole-7-carboxamide
CID 163634647
4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-carboxamide
CID 56901940
1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone
CID 56901295
6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170109
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 70775168
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166699
N',N'-dimethyl-N-[4-(1-methyltetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
CID 56887995

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide (CID 56901483) is 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide is COCCNc1cc(-c2cncc(C(N)=O)c2)c2cc[nH]c2n1.
What is the InChIKey of 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide?
The InChIKey is QFTWKKMSBXYHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-5-4-19-14-7-13(12-2-3-20-16(12)21-14)10-6-11(15(17)22)9-18-8-10/h2-3,6-9H,4-5H2,1H3,(H2,17,22)(H2,19,20,21).
What are the key properties of 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide?
5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56901483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).