1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C18H27N3O3 — CID 95791438

IUPAC1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cn(C(C)(C)C)c2ncccc12
InChIInChI=1S/C18H27N3O3/c1-18(2,3)21-13-15(14-7-6-8-19-16(14)21)17(22)20(9-11-23-4)10-12-24-5/h6-8,13H,9-12H2,1-5H3
InChIKeyMLNZVECKCVRKMI-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.53
Rot. Bonds7

About 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 95791438) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID95791438
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cn(C(C)(C)C)c2ncccc12
InChIInChI=1S/C18H27N3O3/c1-18(2,3)21-13-15(14-7-6-8-19-16(14)21)17(22)20(9-11-23-4)10-12-24-5/h6-8,13H,9-12H2,1-5H3
InChIKeyMLNZVECKCVRKMI-UHFFFAOYSA-N
XLogP2.53
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 113255190
1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110169313
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 113468052
2-[(4-fluorophenyl)methylsulfanyl]-N,N-bis(2-methoxyethyl)pyridine-3-carboxamide
CID 55787196
N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162969
N-ethyl-2-hydrazinyl-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 62247153
1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106772798
2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
CID 103338613
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
2-(ethylamino)-3-fluoro-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 105385769
2-methylsulfanyl-1-[1-(1,1,2,2-tetrafluoroethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 130178080

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 95791438) is 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is COCCN(CCOC)C(=O)c1cn(C(C)(C)C)c2ncccc12.
What is the InChIKey of 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is MLNZVECKCVRKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)21-13-15(14-7-6-8-19-16(14)21)17(22)20(9-11-23-4)10-12-24-5/h6-8,13H,9-12H2,1-5H3.
What are the key properties of 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 95791438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).