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

C19H19N3O2 — CID 175464337

IUPAC2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CC2CC2)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H19N3O2/c1-24-17-10-15(22-18(23)8-12-2-3-12)4-5-16(17)14-9-13-6-7-20-19(13)21-11-14/h4-7,9-12H,2-3,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyWVMAVGMBCYVBBH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.98
Rot. Bonds5

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

2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide (PubChem CID 175464337) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
PubChem CID175464337
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CC2CC2)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H19N3O2/c1-24-17-10-15(22-18(23)8-12-2-3-12)4-5-16(17)14-9-13-6-7-20-19(13)21-11-14/h4-7,9-12H,2-3,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyWVMAVGMBCYVBBH-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.98
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
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide
CID 175464314
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-(3,4-dimethoxyphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 84577292
2-(azetidin-3-yl)-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 64617201
N-(3-chloro-4-methoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119675615
2-cyclohexyl-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide
CID 53379793
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 119688395
5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 151255740
2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 25122284

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide (CID 175464337) is 2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide is COc1cc(NC(=O)CC2CC2)ccc1-c1cnc2[nH]ccc2c1.
What is the InChIKey of 2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The InChIKey is WVMAVGMBCYVBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-17-10-15(22-18(23)8-12-2-3-12)4-5-16(17)14-9-13-6-7-20-19(13)21-11-14/h4-7,9-12H,2-3,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide is sourced from PubChem (CID 175464337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).