6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C24H23ClFN3O2 — CID 134801196

IUPAC6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCC(NC(=O)c3ccc(Cl)nc3)C2)cc1
InChIInChI=1S/C24H23ClFN3O2/c1-31-22-8-7-19(26)12-21(22)17-4-2-16(3-5-17)14-29-11-10-20(15-29)28-24(30)18-6-9-23(25)27-13-18/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,28,30)
InChIKeyZJQAMEONJCYSFA-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.55
Rot. Bonds6

About 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 134801196) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID134801196
Molecular FormulaC24H23ClFN3O2
Molecular Weight439.92 g/mol
Exact Mass439.15
IUPAC Name6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCC(NC(=O)c3ccc(Cl)nc3)C2)cc1
InChIInChI=1S/C24H23ClFN3O2/c1-31-22-8-7-19(26)12-21(22)17-4-2-16(3-5-17)14-29-11-10-20(15-29)28-24(30)18-6-9-23(25)27-13-18/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,28,30)
InChIKeyZJQAMEONJCYSFA-UHFFFAOYSA-N
XLogP4.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
N-(2-aminoethyl)-N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 137648286
N-(1-((2-ethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-5-methylnicotinamide
CID 49862888
N-(1-((2-ethoxy-4''-(trifluoromethyl)biphenyl-4-yl)methyl)piperidin-4-yl)-5-methylnicotinamide
CID 49862889
6-chloro-N-(1-((2,6-diethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)nicotinamide
CID 49862959
6-chloro-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
CID 57395816
4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68515257
[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-chloro-3-pyridinyl)methanone
CID 70694359
6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-methylene]cyclohexyl]pyridine-3-carboxamide
CID 71544076
4-(2-chloro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 87481281
HIF-1 inhibitor-1
CID 139600307
N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524457

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 134801196) is 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is COc1ccc(F)cc1-c1ccc(CN2CCC(NC(=O)c3ccc(Cl)nc3)C2)cc1.
What is the InChIKey of 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is ZJQAMEONJCYSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2/c1-31-22-8-7-19(26)12-21(22)17-4-2-16(3-5-17)14-29-11-10-20(15-29)28-24(30)18-6-9-23(25)27-13-18/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,28,30).
What are the key properties of 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 439.92 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134801196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).