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

C28H31FN2O3 — CID 162653908

IUPACN-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(OCc3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(33-2)16-12-21)17-26(27(32)31-23-7-5-3-4-6-8-23)28(30-19)34-18-20-9-13-22(29)14-10-20/h9-17,23H,3-8,18H2,1-2H3,(H,31,32)
InChIKeyKHBYMJQCFRCSSX-UHFFFAOYSA-N
MW462.57 g/mol
LogP6.24
Rot. Bonds7

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

N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 162653908) has the molecular formula C28H31FN2O3 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID162653908
Molecular FormulaC28H31FN2O3
Molecular Weight462.57 g/mol
Exact Mass462.23
IUPAC NameN-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(OCc3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(33-2)16-12-21)17-26(27(32)31-23-7-5-3-4-6-8-23)28(30-19)34-18-20-9-13-22(29)14-10-20/h9-17,23H,3-8,18H2,1-2H3,(H,31,32)
InChIKeyKHBYMJQCFRCSSX-UHFFFAOYSA-N
XLogP6.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 162653908) is N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(OCc3ccc(F)cc3)nc2C)cc1.
What is the InChIKey of N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is KHBYMJQCFRCSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(33-2)16-12-21)17-26(27(32)31-23-7-5-3-4-6-8-23)28(30-19)34-18-20-9-13-22(29)14-10-20/h9-17,23H,3-8,18H2,1-2H3,(H,31,32).
What are the key properties of N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide?
N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 162653908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).