N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide

C19H24FN3O — CID 109158696

IUPACN-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C19H24FN3O/c1-2-3-4-12-21-18-10-7-16(14-23-18)19(24)22-13-11-15-5-8-17(20)9-6-15/h5-10,14H,2-4,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCWEIKZBZOAIOKJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.80
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide (PubChem CID 109158696) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
PubChem CID109158696
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C19H24FN3O/c1-2-3-4-12-21-18-10-7-16(14-23-18)19(24)22-13-11-15-5-8-17(20)9-6-15/h5-10,14H,2-4,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCWEIKZBZOAIOKJ-UHFFFAOYSA-N
XLogP3.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.80
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-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109154237
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62237222
N-[2-(4-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridine-3-carboxamide
CID 109151422
6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide (CID 109158696) is N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide is CCCCCNc1ccc(C(=O)NCCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide?
The InChIKey is CWEIKZBZOAIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-3-4-12-21-18-10-7-16(14-23-18)19(24)22-13-11-15-5-8-17(20)9-6-15/h5-10,14H,2-4,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109158696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).