N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C27H30FN3O3 — CID 67268155

IUPACN-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCCOc1cc(OC)ccc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C27H30FN3O3/c1-3-34-26-16-24(33-2)9-7-21(26)18-31-13-11-23(12-14-31)30-27(32)20-8-10-25(29-17-20)19-5-4-6-22(28)15-19/h4-10,15-17,23H,3,11-14,18H2,1-2H3,(H,30,32)
InChIKeyYILCVVHFIGGQED-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.69
Rot. Bonds8

About N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67268155) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67268155
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC NameN-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCCOc1cc(OC)ccc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C27H30FN3O3/c1-3-34-26-16-24(33-2)9-7-21(26)18-31-13-11-23(12-14-31)30-27(32)20-8-10-25(29-17-20)19-5-4-6-22(28)15-19/h4-10,15-17,23H,3,11-14,18H2,1-2H3,(H,30,32)
InChIKeyYILCVVHFIGGQED-UHFFFAOYSA-N
XLogP4.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67268155) is N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is CCOc1cc(OC)ccc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1.
What is the InChIKey of N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is YILCVVHFIGGQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3/c1-3-34-26-16-24(33-2)9-7-21(26)18-31-13-11-23(12-14-31)30-27(32)20-8-10-25(29-17-20)19-5-4-6-22(28)15-19/h4-10,15-17,23H,3,11-14,18H2,1-2H3,(H,30,32).
What are the key properties of N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67268155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).