3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide

C19H15N3O2 — CID 167809546

IUPAC3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(CCO)ccn2)c2ccccc2c1
InChIInChI=1S/C19H15N3O2/c20-12-14-9-15-3-1-2-4-16(15)17(10-14)19(24)22-18-11-13(6-8-23)5-7-21-18/h1-5,7,9-11,23H,6,8H2,(H,21,22,24)
InChIKeyUQMLWYCLVWJFGC-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.89
Rot. Bonds4

About 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide

3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide (PubChem CID 167809546) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide
PubChem CID167809546
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(CCO)ccn2)c2ccccc2c1
InChIInChI=1S/C19H15N3O2/c20-12-14-9-15-3-1-2-4-16(15)17(10-14)19(24)22-18-11-13(6-8-23)5-7-21-18/h1-5,7,9-11,23H,6,8H2,(H,21,22,24)
InChIKeyUQMLWYCLVWJFGC-UHFFFAOYSA-N
XLogP2.89
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide?
The IUPAC name of 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide (CID 167809546) is 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide.
What is the SMILES notation for 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide?
The canonical SMILES for 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide is N#Cc1cc(C(=O)Nc2cc(CCO)ccn2)c2ccccc2c1.
What is the InChIKey of 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide?
The InChIKey is UQMLWYCLVWJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c20-12-14-9-15-3-1-2-4-16(15)17(10-14)19(24)22-18-11-13(6-8-23)5-7-21-18/h1-5,7,9-11,23H,6,8H2,(H,21,22,24).
What are the key properties of 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide?
3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide is sourced from PubChem (CID 167809546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).