2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide

C17H18ClFN4O — CID 99827339

IUPAC2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C17H18ClFN4O/c18-15-4-3-13(19)10-12(15)11-22-6-8-23(9-7-22)17-14(16(20)24)2-1-5-21-17/h1-5,10H,6-9,11H2,(H2,20,24)
InChIKeyCUGCGUKWSGADBG-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide

2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 99827339) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID99827339
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C17H18ClFN4O/c18-15-4-3-13(19)10-12(15)11-22-6-8-23(9-7-22)17-14(16(20)24)2-1-5-21-17/h1-5,10H,6-9,11H2,(H2,20,24)
InChIKeyCUGCGUKWSGADBG-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

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423608
2-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 86805748
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47087134
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxamide
CID 10026785
2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 102616251
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide
CID 51106897
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 31536358
2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 166195430
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 47087292
2-[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306651

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 99827339) is 2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(Cc2cc(F)ccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is CUGCGUKWSGADBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-15-4-3-13(19)10-12(15)11-22-6-8-23(9-7-22)17-14(16(20)24)2-1-5-21-17/h1-5,10H,6-9,11H2,(H2,20,24).
What are the key properties of 2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-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-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 99827339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).