N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

C17H23N3O2 — CID 136566826

IUPACN-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)(CNC(=O)c1ccc2cc[nH]c2n1)C1CCOCC1
InChIInChI=1S/C17H23N3O2/c1-17(2,13-6-9-22-10-7-13)11-19-16(21)14-4-3-12-5-8-18-15(12)20-14/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOHYGCPNECOFUHC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.75
Rot. Bonds4

About N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 136566826) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID136566826
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)(CNC(=O)c1ccc2cc[nH]c2n1)C1CCOCC1
InChIInChI=1S/C17H23N3O2/c1-17(2,13-6-9-22-10-7-13)11-19-16(21)14-4-3-12-5-8-18-15(12)20-14/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOHYGCPNECOFUHC-UHFFFAOYSA-N
XLogP2.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bay-707
CID 129012086
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 132451818
N-ethyl-4-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137631775
N-ethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137634895
4-(3-cyclopropylmorpholin-4-yl)-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137638337
N-(oxetan-3-yl)-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137645843
N-ethyl-4-(3-phenylmorpholin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137650313
N-(oxetan-3-yl)-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137655665
N-ethyl-4-(2-phenylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137656009
N-ethyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137661938
Piperazine, 4-benzoyl-1-(1,2-dioxo-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-2-methyl-, (2R)-
CID 5495793

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (CID 136566826) is N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is CC(C)(CNC(=O)c1ccc2cc[nH]c2n1)C1CCOCC1.
What is the InChIKey of N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is OHYGCPNECOFUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,13-6-9-22-10-7-13)11-19-16(21)14-4-3-12-5-8-18-15(12)20-14/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 136566826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).