6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

C23H20F2N4O3 — CID 71262787

IUPAC6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCC(O)CC1)c1cccc(-c2c(F)cccc2F)n1
InChIInChI=1S/C23H20F2N4O3/c24-16-3-1-4-17(25)21(16)18-5-2-6-19(27-18)22(31)28-20-13-26-10-7-15(20)23(32)29-11-8-14(30)9-12-29/h1-7,10,13-14,30H,8-9,11-12H2,(H,28,31)
InChIKeyWPVZPFGKWBXRFT-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.27
Rot. Bonds4

About 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 71262787) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID71262787
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC Name6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCC(O)CC1)c1cccc(-c2c(F)cccc2F)n1
InChIInChI=1S/C23H20F2N4O3/c24-16-3-1-4-17(25)21(16)18-5-2-6-19(27-18)22(31)28-20-13-26-10-7-15(20)23(32)29-11-8-14(30)9-12-29/h1-7,10,13-14,30H,8-9,11-12H2,(H,28,31)
InChIKeyWPVZPFGKWBXRFT-UHFFFAOYSA-N
XLogP3.27
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (CID 71262787) is 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CCC(O)CC1)c1cccc(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is WPVZPFGKWBXRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c24-16-3-1-4-17(25)21(16)18-5-2-6-19(27-18)22(31)28-20-13-26-10-7-15(20)23(32)29-11-8-14(30)9-12-29/h1-7,10,13-14,30H,8-9,11-12H2,(H,28,31).
What are the key properties of 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 71262787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).