6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide

C19H25N3O — CID 109158304

IUPAC6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-2-3-7-13-20-18-11-10-17(15-22-18)19(23)21-14-12-16-8-5-4-6-9-16/h4-6,8-11,15H,2-3,7,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyDQUSKWJVINPIGQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.66
Rot. Bonds9

About 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide

6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 109158304) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID109158304
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-2-3-7-13-20-18-11-10-17(15-22-18)19(23)21-14-12-16-8-5-4-6-9-16/h4-6,8-11,15H,2-3,7,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyDQUSKWJVINPIGQ-UHFFFAOYSA-N
XLogP3.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
CID 109158696
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161120
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510

Frequently Asked Questions

What is the IUPAC name of 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 109158304) is 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide is CCCCCNc1ccc(C(=O)NCCc2ccccc2)cn1.
What is the InChIKey of 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is DQUSKWJVINPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-3-7-13-20-18-11-10-17(15-22-18)19(23)21-14-12-16-8-5-4-6-9-16/h4-6,8-11,15H,2-3,7,12-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide?
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109158304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).