N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C18H18N4O4 — CID 167947396

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1OCC(N)=O
InChIInChI=1S/C18H18N4O4/c1-25-14-5-4-12(8-15(14)26-10-16(19)23)22-17(24)7-11-9-21-18-13(11)3-2-6-20-18/h2-6,8-9H,7,10H2,1H3,(H2,19,23)(H,20,21)(H,22,24)
InChIKeyKNLQOGXYVZSESB-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.62
Rot. Bonds7

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 167947396) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID167947396
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1OCC(N)=O
InChIInChI=1S/C18H18N4O4/c1-25-14-5-4-12(8-15(14)26-10-16(19)23)22-17(24)7-11-9-21-18-13(11)3-2-6-20-18/h2-6,8-9H,7,10H2,1H3,(H2,19,23)(H,20,21)(H,22,24)
InChIKeyKNLQOGXYVZSESB-UHFFFAOYSA-N
XLogP1.62
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide 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

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyphenyl)acetamide
CID 18155390
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
1-(3,4-dimethoxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 58087732
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide
CID 55914859
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119717528
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47057728
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 61239289
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
CID 55843901
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
CID 51087336
N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 166216891

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 167947396) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is COc1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1OCC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is KNLQOGXYVZSESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-25-14-5-4-12(8-15(14)26-10-16(19)23)22-17(24)7-11-9-21-18-13(11)3-2-6-20-18/h2-6,8-9H,7,10H2,1H3,(H2,19,23)(H,20,21)(H,22,24).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 354.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 167947396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).