6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide

C19H25N3O — CID 109156212

IUPAC6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-3-4-8-13-20-18-12-11-17(14-21-18)19(23)22-15(2)16-9-6-5-7-10-16/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeySKVSRLWLELFSCK-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.17
Rot. Bonds8

About 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide

6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109156212) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109156212
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-3-4-8-13-20-18-12-11-17(14-21-18)19(23)22-15(2)16-9-6-5-7-10-16/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeySKVSRLWLELFSCK-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(pentylamino)-N-(1-phenylethyl)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

Related Compounds

6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156184
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161120
6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109339831
6-(2-ethoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156225
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323

Frequently Asked Questions

What is the IUPAC name of 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109156212) is 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide is CCCCCNc1ccc(C(=O)NC(C)c2ccccc2)cn1.
What is the InChIKey of 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is SKVSRLWLELFSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-4-8-13-20-18-12-11-17(14-21-18)19(23)22-15(2)16-9-6-5-7-10-16/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide?
6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109156212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).