N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide

C23H23FN4O — CID 109155589

IUPACN-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C23H23FN4O/c24-20-8-4-5-9-21(20)27-12-14-28(15-13-27)22-11-10-19(17-25-22)23(29)26-16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,26,29)
InChIKeyQVJVEPLDEHGPSN-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.48
Rot. Bonds5

About N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide

N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 109155589) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID109155589
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C23H23FN4O/c24-20-8-4-5-9-21(20)27-12-14-28(15-13-27)22-11-10-19(17-25-22)23(29)26-16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,26,29)
InChIKeyQVJVEPLDEHGPSN-UHFFFAOYSA-N
XLogP3.48
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155580
N-benzyl-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
CID 53102372
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
[2-(benzylamino)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109255410
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392
ethyl 4-[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109156537
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 68737482
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171642
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158129

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide (CID 109155589) is N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(N2CCN(c3ccccc3F)CC2)nc1.
What is the InChIKey of N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is QVJVEPLDEHGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-20-8-4-5-9-21(20)27-12-14-28(15-13-27)22-11-10-19(17-25-22)23(29)26-16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,26,29).
What are the key properties of N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 109155589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).