N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide

C19H22FN3O3 — CID 166309265

IUPACN-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)c1O
InChIInChI=1S/C19H22FN3O3/c1-22(19(25)17-18(24)16(26-2)7-10-21-17)14-8-11-23(12-9-14)15-5-3-13(20)4-6-15/h3-7,10,14,24H,8-9,11-12H2,1-2H3
InChIKeyATEPFPFMKBLVIP-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.68
Rot. Bonds4

About N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide

N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 166309265) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide
PubChem CID166309265
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)c1O
InChIInChI=1S/C19H22FN3O3/c1-22(19(25)17-18(24)16(26-2)7-10-21-17)14-8-11-23(12-9-14)15-5-3-13(20)4-6-15/h3-7,10,14,24H,8-9,11-12H2,1-2H3
InChIKeyATEPFPFMKBLVIP-UHFFFAOYSA-N
XLogP2.68
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide (CID 166309265) is N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide is COc1ccnc(C(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)c1O.
What is the InChIKey of N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is ATEPFPFMKBLVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-22(19(25)17-18(24)16(26-2)7-10-21-17)14-8-11-23(12-9-14)15-5-3-13(20)4-6-15/h3-7,10,14,24H,8-9,11-12H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide?
N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 166309265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).