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

C16H16ClFN4O — CID 75457035

IUPAC4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCN(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H16ClFN4O/c17-13-9-11(18)1-2-15(13)22-7-5-21(6-8-22)14-3-4-20-10-12(14)16(19)23/h1-4,9-10H,5-8H2,(H2,19,23)
InChIKeyPGARXAWDSIRBOT-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.30
Rot. Bonds3

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

4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 75457035) has the molecular formula C16H16ClFN4O and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID75457035
Molecular FormulaC16H16ClFN4O
Molecular Weight334.78 g/mol
Exact Mass334.10
IUPAC Name4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCN(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H16ClFN4O/c17-13-9-11(18)1-2-15(13)22-7-5-21(6-8-22)14-3-4-20-10-12(14)16(19)23/h1-4,9-10H,5-8H2,(H2,19,23)
InChIKeyPGARXAWDSIRBOT-UHFFFAOYSA-N
XLogP2.30
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133469874
4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 133443019
4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 133454831
4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 75478044
4-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 97307055
4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 125493454
4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 167873619
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442603
(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120873636
(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide (CID 75457035) is 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1N1CCN(c2ccc(F)cc2Cl)CC1.
What is the InChIKey of 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is PGARXAWDSIRBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O/c17-13-9-11(18)1-2-15(13)22-7-5-21(6-8-22)14-3-4-20-10-12(14)16(19)23/h1-4,9-10H,5-8H2,(H2,19,23).
What are the key properties of 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide?
4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 75457035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).