N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide

C23H24FN3O3 — CID 11475352

IUPACN-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(=O)NCCN(C)C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C23H24FN3O3/c1-27(2)13-12-25-23(28)22-15-20(29-3)14-21(26-22)16-4-8-18(9-5-16)30-19-10-6-17(24)7-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,25,28)
InChIKeyRYEXAANYBDUCSP-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.98
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide (PubChem CID 11475352) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
PubChem CID11475352
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(=O)NCCN(C)C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C23H24FN3O3/c1-27(2)13-12-25-23(28)22-15-20(29-3)14-21(26-22)16-4-8-18(9-5-16)30-19-10-6-17(24)7-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,25,28)
InChIKeyRYEXAANYBDUCSP-UHFFFAOYSA-N
XLogP3.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide
CID 68527403
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-[2-(dimethylamino)ethyl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4155049
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
CID 110464430
N-[2-(dimethylamino)ethyl]-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109115345
2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]ethyl-trimethylazanium formate
CID 71566573
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
N-[3-(4-fluorophenoxy)propyl]-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110307304

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide (CID 11475352) is N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide is COc1cc(C(=O)NCCN(C)C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide?
The InChIKey is RYEXAANYBDUCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-27(2)13-12-25-23(28)22-15-20(29-3)14-21(26-22)16-4-8-18(9-5-16)30-19-10-6-17(24)7-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 11475352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).