N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C18H17N5O — CID 154704039

IUPACN-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCNc1ccc(C#N)c(NC(=O)Cc2c[nH]c3ncccc23)c1
InChIInChI=1S/C18H17N5O/c1-2-20-14-6-5-12(10-19)16(9-14)23-17(24)8-13-11-22-18-15(13)4-3-7-21-18/h3-7,9,11,20H,2,8H2,1H3,(H,21,22)(H,23,24)
InChIKeyLMQZSJWRDIGOJW-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.05
Rot. Bonds5

About N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 154704039) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID154704039
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCNc1ccc(C#N)c(NC(=O)Cc2c[nH]c3ncccc23)c1
InChIInChI=1S/C18H17N5O/c1-2-20-14-6-5-12(10-19)16(9-14)23-17(24)8-13-11-22-18-15(13)4-3-7-21-18/h3-7,9,11,20H,2,8H2,1H3,(H,21,22)(H,23,24)
InChIKeyLMQZSJWRDIGOJW-UHFFFAOYSA-N
XLogP3.05
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 154704039) is N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CCNc1ccc(C#N)c(NC(=O)Cc2c[nH]c3ncccc23)c1.
What is the InChIKey of N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is LMQZSJWRDIGOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-2-20-14-6-5-12(10-19)16(9-14)23-17(24)8-13-11-22-18-15(13)4-3-7-21-18/h3-7,9,11,20H,2,8H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 319.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-5-(ethylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 154704039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).