6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide

C23H25N5O2 — CID 51956656

IUPAC6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cn1)c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-17(18-6-3-2-4-7-18)30-21-9-8-19(16-26-21)22(29)27-20-10-14-28(15-11-20)23-24-12-5-13-25-23/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3,(H,27,29)/t17-/m1/s1
InChIKeyXUAJLOVBGZBKDE-QGZVFWFLSA-N
MW403.49 g/mol
LogP3.41
Rot. Bonds6

About 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide

6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 51956656) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID51956656
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cn1)c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-17(18-6-3-2-4-7-18)30-21-9-8-19(16-26-21)22(29)27-20-10-14-28(15-11-20)23-24-12-5-13-25-23/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3,(H,27,29)/t17-/m1/s1
InChIKeyXUAJLOVBGZBKDE-QGZVFWFLSA-N
XLogP3.41
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
1-[(3S)-3-phenylbutyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 52511655
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 51956127
6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 47054518
N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide
CID 51959303
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705458
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(1-phenylethoxy)pyridine-3-carboxamide
CID 47047407
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
6-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 86989964

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide (CID 51956656) is 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide is C[C@@H](Oc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cn1)c1ccccc1.
What is the InChIKey of 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is XUAJLOVBGZBKDE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17(18-6-3-2-4-7-18)30-21-9-8-19(16-26-21)22(29)27-20-10-14-28(15-11-20)23-24-12-5-13-25-23/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3,(H,27,29)/t17-/m1/s1.
What are the key properties of 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 51956656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).