4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C22H22FN5O — CID 109213263

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(N2CCN(c3ccccc3F)CC2)ccn1
InChIInChI=1S/C22H22FN5O/c23-19-3-1-2-4-21(19)28-13-11-27(12-14-28)18-7-10-25-20(15-18)22(29)26-16-17-5-8-24-9-6-17/h1-10,15H,11-14,16H2,(H,26,29)
InChIKeyNWAYTAYGNCEBRK-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.87
Rot. Bonds5

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109213263) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109213263
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(N2CCN(c3ccccc3F)CC2)ccn1
InChIInChI=1S/C22H22FN5O/c23-19-3-1-2-4-21(19)28-13-11-27(12-14-28)18-7-10-25-20(15-18)22(29)26-16-17-5-8-24-9-6-17/h1-10,15H,11-14,16H2,(H,26,29)
InChIKeyNWAYTAYGNCEBRK-UHFFFAOYSA-N
XLogP2.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133417321
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216141
N-benzyl-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
CID 53102372
ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate
CID 109211400
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234938
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674
4-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109087630
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109191619

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109213263) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1cc(N2CCN(c3ccccc3F)CC2)ccn1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is NWAYTAYGNCEBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-19-3-1-2-4-21(19)28-13-11-27(12-14-28)18-7-10-25-20(15-18)22(29)26-16-17-5-8-24-9-6-17/h1-10,15H,11-14,16H2,(H,26,29).
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).