N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C17H18ClFN4O — CID 53026920

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCn1cc(C2=CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cn1
InChIInChI=1S/C17H18ClFN4O/c1-22-10-13(9-20-22)12-4-6-23(7-5-12)11-17(24)21-14-2-3-16(19)15(18)8-14/h2-4,8-10H,5-7,11H2,1H3,(H,21,24)
InChIKeyJSTQGJKRVIDURG-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.94
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 53026920) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID53026920
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCn1cc(C2=CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cn1
InChIInChI=1S/C17H18ClFN4O/c1-22-10-13(9-20-22)12-4-6-23(7-5-12)11-17(24)21-14-2-3-16(19)15(18)8-14/h2-4,8-10H,5-7,11H2,1H3,(H,21,24)
InChIKeyJSTQGJKRVIDURG-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026936
N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 50980552
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 50983046
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026951
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502522
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CID 166602128
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CID 8759575
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125075
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 53026920) is N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is Cn1cc(C2=CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is JSTQGJKRVIDURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c1-22-10-13(9-20-22)12-4-6-23(7-5-12)11-17(24)21-14-2-3-16(19)15(18)8-14/h2-4,8-10H,5-7,11H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 348.81 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 53026920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).