N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C21H15N5O2 — CID 154861633

IUPACN-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESN#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2)ccn1
InChIInChI=1S/C21H15N5O2/c22-12-16-11-18(7-9-23-16)28-17-5-3-15(4-6-17)26-20(27)10-14-13-25-21-19(14)2-1-8-24-21/h1-9,11,13H,10H2,(H,24,25)(H,26,27)
InChIKeyWASKDCTYZMMLCI-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.80
Rot. Bonds5

About N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 154861633) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID154861633
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC NameN-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESN#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2)ccn1
InChIInChI=1S/C21H15N5O2/c22-12-16-11-18(7-9-23-16)28-17-5-3-15(4-6-17)26-20(27)10-14-13-25-21-19(14)2-1-8-24-21/h1-9,11,13H,10H2,(H,24,25)(H,26,27)
InChIKeyWASKDCTYZMMLCI-UHFFFAOYSA-N
XLogP3.80
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide with MolForge

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Related Compounds

N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154704039
N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide
CID 166227041
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
CID 58659449
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 167947396
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
CID 113000397
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 10092959
3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid
CID 58674563
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
CID 120535022
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 154861633) is N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is N#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2)ccn1.
What is the InChIKey of N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is WASKDCTYZMMLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c22-12-16-11-18(7-9-23-16)28-17-5-3-15(4-6-17)26-20(27)10-14-13-25-21-19(14)2-1-8-24-21/h1-9,11,13H,10H2,(H,24,25)(H,26,27).
What are the key properties of N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 369.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 154861633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).