N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide

C23H25N5O2 — CID 126472480

IUPACN-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(-c2ccccc2)nc1NCCc1ccccn1
InChIInChI=1S/C23H25N5O2/c1-17(29)24-15-16-27-23(30)20-10-11-21(18-7-3-2-4-8-18)28-22(20)26-14-12-19-9-5-6-13-25-19/h2-11,13H,12,14-16H2,1H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyRDNPBMGCYKKFOV-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.66
Rot. Bonds9

About N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide

N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide (PubChem CID 126472480) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide
PubChem CID126472480
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(-c2ccccc2)nc1NCCc1ccccn1
InChIInChI=1S/C23H25N5O2/c1-17(29)24-15-16-27-23(30)20-10-11-21(18-7-3-2-4-8-18)28-22(20)26-14-12-19-9-5-6-13-25-19/h2-11,13H,12,14-16H2,1H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyRDNPBMGCYKKFOV-UHFFFAOYSA-N
XLogP2.66
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-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 N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide (CID 126472480) is N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide is CC(=O)NCCNC(=O)c1ccc(-c2ccccc2)nc1NCCc1ccccn1.
What is the InChIKey of N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide?
The InChIKey is RDNPBMGCYKKFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17(29)24-15-16-27-23(30)20-10-11-21(18-7-3-2-4-8-18)28-22(20)26-14-12-19-9-5-6-13-25-19/h2-11,13H,12,14-16H2,1H3,(H,24,29)(H,26,28)(H,27,30).
What are the key properties of N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide?
N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 126472480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).