2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide

C17H18ClFN4O — CID 51106897

IUPAC2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCN(Cc3ccc(F)cc3Cl)CC2)c1
InChIInChI=1S/C17H18ClFN4O/c18-15-10-14(19)2-1-13(15)11-22-5-7-23(8-6-22)16-9-12(17(20)24)3-4-21-16/h1-4,9-10H,5-8,11H2,(H2,20,24)
InChIKeySJLKXKCGYCHMMK-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide

2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide (PubChem CID 51106897) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide
PubChem CID51106897
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCN(Cc3ccc(F)cc3Cl)CC2)c1
InChIInChI=1S/C17H18ClFN4O/c18-15-10-14(19)2-1-13(15)11-22-5-7-23(8-6-22)16-9-12(17(20)24)3-4-21-16/h1-4,9-10H,5-8,11H2,(H2,20,24)
InChIKeySJLKXKCGYCHMMK-UHFFFAOYSA-N
XLogP2.30
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
(3-aminopyrazin-2-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 39009137
2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 99827339
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670
4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide
CID 86969627
(2R)-2-amino-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119853350
2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide
CID 34822497
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide
CID 39776331
2-[4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19504583

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide (CID 51106897) is 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(N2CCN(Cc3ccc(F)cc3Cl)CC2)c1.
What is the InChIKey of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is SJLKXKCGYCHMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-15-10-14(19)2-1-13(15)11-22-5-7-23(8-6-22)16-9-12(17(20)24)3-4-21-16/h1-4,9-10H,5-8,11H2,(H2,20,24).
What are the key properties of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide?
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 51106897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).