N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide

C27H28F2N2O2 — CID 162671694

IUPACN-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2ccc(F)cc2)c(C(=O)NC2CCCCCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C27H28F2N2O2/c1-18-24(20-10-14-22(29)15-11-20)16-25(26(32)31-23-6-4-2-3-5-7-23)27(30-18)33-17-19-8-12-21(28)13-9-19/h8-16,23H,2-7,17H2,1H3,(H,31,32)
InChIKeyCWCNFLHREXQUPX-UHFFFAOYSA-N
MW450.53 g/mol
LogP6.37
Rot. Bonds6

About N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide

N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide (PubChem CID 162671694) has the molecular formula C27H28F2N2O2 and a molecular weight of 450.53 g/mol. Its IUPAC name is N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide
PubChem CID162671694
Molecular FormulaC27H28F2N2O2
Molecular Weight450.53 g/mol
Exact Mass450.21
IUPAC NameN-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2ccc(F)cc2)c(C(=O)NC2CCCCCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C27H28F2N2O2/c1-18-24(20-10-14-22(29)15-11-20)16-25(26(32)31-23-6-4-2-3-5-7-23)27(30-18)33-17-19-8-12-21(28)13-9-19/h8-16,23H,2-7,17H2,1H3,(H,31,32)
InChIKeyCWCNFLHREXQUPX-UHFFFAOYSA-N
XLogP6.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide (CID 162671694) is N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide is Cc1nc(OCc2ccc(F)cc2)c(C(=O)NC2CCCCCC2)cc1-c1ccc(F)cc1.
What is the InChIKey of N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide?
The InChIKey is CWCNFLHREXQUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O2/c1-18-24(20-10-14-22(29)15-11-20)16-25(26(32)31-23-6-4-2-3-5-7-23)27(30-18)33-17-19-8-12-21(28)13-9-19/h8-16,23H,2-7,17H2,1H3,(H,31,32).
What are the key properties of N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide?
N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide has a molecular weight of 450.53 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 162671694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).