N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide

C24H24F2N4O4 — CID 151827186

IUPACN-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(CO)cnc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H24F2N4O4/c1-33-24-18(3-2-8-27-24)23(32)29-20-11-15(14-31)13-28-22(20)30-9-6-17(7-10-30)34-21-5-4-16(25)12-19(21)26/h2-5,8,11-13,17,31H,6-7,9-10,14H2,1H3,(H,29,32)
InChIKeySDWJHBWXUPTXHV-UHFFFAOYSA-N
MW470.48 g/mol
LogP3.56
Rot. Bonds7

About N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide

N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide (PubChem CID 151827186) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide
PubChem CID151827186
Molecular FormulaC24H24F2N4O4
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC NameN-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(CO)cnc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H24F2N4O4/c1-33-24-18(3-2-8-27-24)23(32)29-20-11-15(14-31)13-28-22(20)30-9-6-17(7-10-30)34-21-5-4-16(25)12-19(21)26/h2-5,8,11-13,17,31H,6-7,9-10,14H2,1H3,(H,29,32)
InChIKeySDWJHBWXUPTXHV-UHFFFAOYSA-N
XLogP3.56
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide (CID 151827186) is N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cc(CO)cnc1N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is SDWJHBWXUPTXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c1-33-24-18(3-2-8-27-24)23(32)29-20-11-15(14-31)13-28-22(20)30-9-6-17(7-10-30)34-21-5-4-16(25)12-19(21)26/h2-5,8,11-13,17,31H,6-7,9-10,14H2,1H3,(H,29,32).
What are the key properties of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(hydroxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 151827186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).