N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide

C19H21N3O2 — CID 175464314

IUPACN-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)C)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)18(23)22-14-5-6-15(16(10-14)24-4)13-9-12-7-8-20-17(12)21-11-13/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyFBJOOXQOIJPWAS-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.22
Rot. Bonds3

About N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide

N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 175464314) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID175464314
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)C)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)18(23)22-14-5-6-15(16(10-14)24-4)13-9-12-7-8-20-17(12)21-11-13/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyFBJOOXQOIJPWAS-UHFFFAOYSA-N
XLogP4.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464575
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopropanecarboxamide
CID 175464351
2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464337
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 86634456
tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
CID 86671106
2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 25122284
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 28666099
ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 144694036
5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 151255740
2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide
CID 90178108
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034745

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide (CID 175464314) is N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide is COc1cc(NC(=O)C(C)(C)C)ccc1-c1cnc2[nH]ccc2c1.
What is the InChIKey of N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is FBJOOXQOIJPWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,3)18(23)22-14-5-6-15(16(10-14)24-4)13-9-12-7-8-20-17(12)21-11-13/h5-11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide?
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 175464314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).