N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C20H23N3O3 — CID 135061646

IUPACN,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c[nH]c2nccc(C(O)c3ccc(OC)cc3)c12
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)20(25)16-12-22-19-17(16)15(10-11-21-19)18(24)13-6-8-14(26-3)9-7-13/h6-12,18,24H,4-5H2,1-3H3,(H,21,22)
InChIKeyNDHZKYKKISCFHC-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.14
Rot. Bonds6

About N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 135061646) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID135061646
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c[nH]c2nccc(C(O)c3ccc(OC)cc3)c12
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)20(25)16-12-22-19-17(16)15(10-11-21-19)18(24)13-6-8-14(26-3)9-7-13/h6-12,18,24H,4-5H2,1-3H3,(H,21,22)
InChIKeyNDHZKYKKISCFHC-UHFFFAOYSA-N
XLogP3.14
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-378806
CID 5495818
5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-, (2S)-
CID 5495819
2-Amino-5-[3-(2-methoxy-phenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethyl-benzamide
CID 16739128
3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 23625310
Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-
CID 5495820
(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 52951492
(6-Ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)(3,4,5-trimethoxyphenyl)methanone
CID 52951493
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
CID 68083605
N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide
CID 122658882
4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753450
4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757109

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 135061646) is N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CCN(CC)C(=O)c1c[nH]c2nccc(C(O)c3ccc(OC)cc3)c12.
What is the InChIKey of N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is NDHZKYKKISCFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23(5-2)20(25)16-12-22-19-17(16)15(10-11-21-19)18(24)13-6-8-14(26-3)9-7-13/h6-12,18,24H,4-5H2,1-3H3,(H,21,22).
What are the key properties of N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 135061646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).