N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide

C17H18N4O3 — CID 154786469

IUPACN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)Nc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C17H18N4O3/c1-21-14(6-3-7-15(21)23)17(24)20-12-9-18-16(19-10-12)11-4-2-5-13(22)8-11/h2,4-5,8-10,14,22H,3,6-7H2,1H3,(H,20,24)
InChIKeyCSRWFWAYZYJABM-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.80
Rot. Bonds3

About N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide

N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 154786469) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide
PubChem CID154786469
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)Nc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C17H18N4O3/c1-21-14(6-3-7-15(21)23)17(24)20-12-9-18-16(19-10-12)11-4-2-5-13(22)8-11/h2,4-5,8-10,14,22H,3,6-7H2,1H3,(H,20,24)
InChIKeyCSRWFWAYZYJABM-UHFFFAOYSA-N
XLogP1.80
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide
CID 146138327
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide
CID 75436300
N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133040
N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide
CID 166254325
N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687377
N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687375
(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 128977951
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 56522299
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 53014777
1-methyl-N-(5-methyl-1H-indol-6-yl)-6-oxopiperidine-2-carboxamide
CID 146133051

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide (CID 154786469) is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide is CN1C(=O)CCCC1C(=O)Nc1cnc(-c2cccc(O)c2)nc1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is CSRWFWAYZYJABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21-14(6-3-7-15(21)23)17(24)20-12-9-18-16(19-10-12)11-4-2-5-13(22)8-11/h2,4-5,8-10,14,22H,3,6-7H2,1H3,(H,20,24).
What are the key properties of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 154786469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).