2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide

C30H28ClFN4O2 — CID 58297083

IUPAC2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Cl)c2)c(C2CCN(Cc3ccc(-c4ccc(F)cc4)cc3)CC2)n1
InChIInChI=1S/C30H28ClFN4O2/c1-38-28-11-10-26(34-30(37)24-12-15-33-27(31)18-24)29(35-28)23-13-16-36(17-14-23)19-20-2-4-21(5-3-20)22-6-8-25(32)9-7-22/h2-12,15,18,23H,13-14,16-17,19H2,1H3,(H,34,37)
InChIKeyGYORSWQHGNMGAY-UHFFFAOYSA-N
MW531.03 g/mol
LogP6.58
Rot. Bonds7

About 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide

2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 58297083) has the molecular formula C30H28ClFN4O2 and a molecular weight of 531.03 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide
PubChem CID58297083
Molecular FormulaC30H28ClFN4O2
Molecular Weight531.03 g/mol
Exact Mass530.19
IUPAC Name2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Cl)c2)c(C2CCN(Cc3ccc(-c4ccc(F)cc4)cc3)CC2)n1
InChIInChI=1S/C30H28ClFN4O2/c1-38-28-11-10-26(34-30(37)24-12-15-33-27(31)18-24)29(35-28)23-13-16-36(17-14-23)19-20-2-4-21(5-3-20)22-6-8-25(32)9-7-22/h2-12,15,18,23H,13-14,16-17,19H2,1H3,(H,34,37)
InChIKeyGYORSWQHGNMGAY-UHFFFAOYSA-N
XLogP6.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.03
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
CID 122196526
3,5-dichloro-N-(3-(4-((pyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide
CID 11180743
3,5-dichloro-N-(3-(4-((4-(trifluoromethyl)phenyl)(6-(trifluoromethyl)pyridin-2-yloxy)methyl)piperidin-1-yl)butyl)isonicotinamide
CID 11193076
3,5-Dichloro-N-[3-(4-{[(6-methylpyridin-2-yl)oxy][4-(trifluoromethyl)phenyl]methyl}piperidin-1-yl)butyl]pyridine-4-carboxamide
CID 11261876
3,5-Dichloro-N-[3-(4-{[(6-cyanopyridin-2-yl)oxy][4-(trifluoromethyl)phenyl]methyl}piperidin-1-yl)butyl]pyridine-4-carboxamide
CID 11478988
N-[6-chloro-5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117609559
N-[6-chloro-5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)pyridin-3-yl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
CID 117609574
3,5-dichloro-N-(3-(4-((6-chloropyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide
CID 52918140
N-(6-Methoxy-1,5-naphthyridin-4-yl)-1-(4-(trifluoromethyl)phenethyl)piperidine-4-carboxamide
CID 163408986
1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
CID 166627743
2-Chloro-N-[4-(4-fluoro-2-methoxy-phenyl)-pyridin-3-yl]-N-methyl-6-trifluoromethyl-isonicotinamide
CID 86670780
2-Chloro-N-[4-(4-fluoro-2-methoxy-phenyl)-pyridin-3-yl]-6-methoxy-N-methyl-isonicotinamide
CID 86670792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide (CID 58297083) is 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(Cl)c2)c(C2CCN(Cc3ccc(-c4ccc(F)cc4)cc3)CC2)n1.
What is the InChIKey of 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is GYORSWQHGNMGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClFN4O2/c1-38-28-11-10-26(34-30(37)24-12-15-33-27(31)18-24)29(35-28)23-13-16-36(17-14-23)19-20-2-4-21(5-3-20)22-6-8-25(32)9-7-22/h2-12,15,18,23H,13-14,16-17,19H2,1H3,(H,34,37).
What are the key properties of 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide?
2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 531.03 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[[4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-methoxy-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 58297083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).