N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide

C18H22FN3O2 — CID 109228217

IUPACN-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FN3O2/c1-24-10-2-8-21-17-11-15(12-20-13-17)18(23)22-9-7-14-3-5-16(19)6-4-14/h3-6,11-13,21H,2,7-10H2,1H3,(H,22,23)
InChIKeyQJKJRHMIKQPJMF-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.64
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide (PubChem CID 109228217) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
PubChem CID109228217
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FN3O2/c1-24-10-2-8-21-17-11-15(12-20-13-17)18(23)22-9-7-14-3-5-16(19)6-4-14/h3-6,11-13,21H,2,7-10H2,1H3,(H,22,23)
InChIKeyQJKJRHMIKQPJMF-UHFFFAOYSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228038
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109223200
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228037
5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228025
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide (CID 109228217) is N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide is COCCCNc1cncc(C(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The InChIKey is QJKJRHMIKQPJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-24-10-2-8-21-17-11-15(12-20-13-17)18(23)22-9-7-14-3-5-16(19)6-4-14/h3-6,11-13,21H,2,7-10H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109228217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).