5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide

C18H21FN4O — CID 109186840

IUPAC5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccccc3F)nc2)CC1
InChIInChI=1S/C18H21FN4O/c1-2-22-9-11-23(12-10-22)14-7-8-17(20-13-14)18(24)21-16-6-4-3-5-15(16)19/h3-8,13H,2,9-12H2,1H3,(H,21,24)
InChIKeySUVHEMLILRSFOG-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.61
Rot. Bonds4

About 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide

5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109186840) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID109186840
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccccc3F)nc2)CC1
InChIInChI=1S/C18H21FN4O/c1-2-22-9-11-23(12-10-22)14-7-8-17(20-13-14)18(24)21-16-6-4-3-5-15(16)19/h3-8,13H,2,9-12H2,1H3,(H,21,24)
InChIKeySUVHEMLILRSFOG-UHFFFAOYSA-N
XLogP2.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylpiperazin-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109186854
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109186778
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830
N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186876
N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
5-ethoxy-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 146277110

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide (CID 109186840) is 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3ccccc3F)nc2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is SUVHEMLILRSFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-22-9-11-23(12-10-22)14-7-8-17(20-13-14)18(24)21-16-6-4-3-5-15(16)19/h3-8,13H,2,9-12H2,1H3,(H,21,24).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109186840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).