N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C22H22FN5O — CID 109233560

IUPACN-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H22FN5O/c23-19-6-4-17(5-7-19)14-26-22(29)18-13-20(16-24-15-18)27-9-11-28(12-10-27)21-3-1-2-8-25-21/h1-8,13,15-16H,9-12,14H2,(H,26,29)
InChIKeyBPWSSNWUVHVDNC-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.87
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109233560) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109233560
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H22FN5O/c23-19-6-4-17(5-7-19)14-26-22(29)18-13-20(16-24-15-18)27-9-11-28(12-10-27)21-3-1-2-8-25-21/h1-8,13,15-16H,9-12,14H2,(H,26,29)
InChIKeyBPWSSNWUVHVDNC-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

N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109224016
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233544
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234938
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155580
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109191479
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 58833091
5-(4-formylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109230884

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 109233560) is N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cncc(N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is BPWSSNWUVHVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-19-6-4-17(5-7-19)14-26-22(29)18-13-20(16-24-15-18)27-9-11-28(12-10-27)21-3-1-2-8-25-21/h1-8,13,15-16H,9-12,14H2,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-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 N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109233560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).