N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide

C16H14N4O2 — CID 75436300

IUPACN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C16H14N4O2/c1-20-7-3-6-14(20)16(22)19-12-9-17-15(18-10-12)11-4-2-5-13(21)8-11/h2-10,21H,1H3,(H,19,22)
InChIKeyQSOONGWVIPDBKX-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.44
Rot. Bonds3

About N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide

N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 75436300) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide
PubChem CID75436300
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C16H14N4O2/c1-20-7-3-6-14(20)16(22)19-12-9-17-15(18-10-12)11-4-2-5-13(21)8-11/h2-10,21H,1H3,(H,19,22)
InChIKeyQSOONGWVIPDBKX-UHFFFAOYSA-N
XLogP2.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 136519991
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 56522299
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 154786469
2-(2,4-dimethylphenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 56522430
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3-methylsulfonyl-5-nitrobenzamide
CID 56522052
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide
CID 56520260
N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 67517600
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 56520770
(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523221

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide (CID 75436300) is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1cnc(-c2cccc(O)c2)nc1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is QSOONGWVIPDBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-20-7-3-6-14(20)16(22)19-12-9-17-15(18-10-12)11-4-2-5-13(21)8-11/h2-10,21H,1H3,(H,19,22).
What are the key properties of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide?
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.44, 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-methylpyrrole-2-carboxamide is sourced from PubChem (CID 75436300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).