1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide

C28H27FN4O2 — CID 119025596

IUPAC1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2ncccc2c1)C1CCN(c2ccc(-c3cc(CO)ccc3F)cn2)CC1
InChIInChI=1S/C28H27FN4O2/c29-25-6-3-20(18-34)15-24(25)23-5-8-27(31-17-23)33-12-9-21(10-13-33)28(35)32-16-19-4-7-26-22(14-19)2-1-11-30-26/h1-8,11,14-15,17,21,34H,9-10,12-13,16,18H2,(H,32,35)
InChIKeyJBDGRQUVRNHGJF-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.46
Rot. Bonds6

About 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide

1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide (PubChem CID 119025596) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
PubChem CID119025596
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2ncccc2c1)C1CCN(c2ccc(-c3cc(CO)ccc3F)cn2)CC1
InChIInChI=1S/C28H27FN4O2/c29-25-6-3-20(18-34)15-24(25)23-5-8-27(31-17-23)33-12-9-21(10-13-33)28(35)32-16-19-4-7-26-22(14-19)2-1-11-30-26/h1-8,11,14-15,17,21,34H,9-10,12-13,16,18H2,(H,32,35)
InChIKeyJBDGRQUVRNHGJF-UHFFFAOYSA-N
XLogP4.46
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

2-Quinolin-3-yl-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-propionic acid
CID 22678222
(3R)-3-quinolin-3-yl-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 44395933
Cdk5-IN-2
CID 163196445
1-[(2S)-4-(5-fluoro-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]-4-[3-(hydroxymethyl)quinolin-5-yl]butan-1-one
CID 162663618
N-(7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl)cyclopropanecarboxamide
CID 67974979
N-(7-(6-(hydroxymethyl)-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 68095262
N-[7-[2-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 68095663
N-[7-[5-(hydroxymethyl)-2-methylphenyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71114966
(1S,2S)-2-fluoro-N-(7-(2-(hydroxymethyl)-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 71115016
N-[7-[2-fluoro-5-(hydroxymethyl)phenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115052
N-(7-(5-fluoro-6-(hydroxymethyl)-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 71115071
N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115343

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide (CID 119025596) is 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccc2ncccc2c1)C1CCN(c2ccc(-c3cc(CO)ccc3F)cn2)CC1.
What is the InChIKey of 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide?
The InChIKey is JBDGRQUVRNHGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c29-25-6-3-20(18-34)15-24(25)23-5-8-27(31-17-23)33-12-9-21(10-13-33)28(35)32-16-19-4-7-26-22(14-19)2-1-11-30-26/h1-8,11,14-15,17,21,34H,9-10,12-13,16,18H2,(H,32,35).
What are the key properties of 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide?
1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119025596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).