N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C26H26N4O4 — CID 145492215

IUPACN-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCOCCN(C(C)=O)C(=O)c1cc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)ccc1N
InChIInChI=1S/C26H26N4O4/c1-16(31)30(10-11-33-2)26(32)21-12-17(8-9-23(21)27)18-13-20-22(15-29-25(20)28-14-18)19-6-4-5-7-24(19)34-3/h4-9,12-15H,10-11,27H2,1-3H3,(H,28,29)
InChIKeyXVPNQZYIHAMNDH-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.12
Rot. Bonds7

About N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 145492215) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID145492215
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCOCCN(C(C)=O)C(=O)c1cc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)ccc1N
InChIInChI=1S/C26H26N4O4/c1-16(31)30(10-11-33-2)26(32)21-12-17(8-9-23(21)27)18-13-20-22(15-29-25(20)28-14-18)19-6-4-5-7-24(19)34-3/h4-9,12-15H,10-11,27H2,1-3H3,(H,28,29)
InChIKeyXVPNQZYIHAMNDH-UHFFFAOYSA-N
XLogP4.12
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44555167
2-[2-(dimethylamino)ethylamino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700275
2-[[2-(2-methoxyethoxy)acetyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700228
2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700190
ethane;2-fluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-propan-2-ylbenzamide
CID 145492430
2-formamido-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700179
N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
CID 25059759
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 59700233
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
[(Z)-2-hydroxybut-2-enyl] N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate
CID 145492438
3-fluoro-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700043
2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 25059763

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 145492215) is N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is COCCN(C(C)=O)C(=O)c1cc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)ccc1N.
What is the InChIKey of N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is XVPNQZYIHAMNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-16(31)30(10-11-33-2)26(32)21-12-17(8-9-23(21)27)18-13-20-22(15-29-25(20)28-14-18)19-6-4-5-7-24(19)34-3/h4-9,12-15H,10-11,27H2,1-3H3,(H,28,29).
What are the key properties of N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 458.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-amino-N-(2-methoxyethyl)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 145492215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).