N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide

C16H17N3O2 — CID 75444590

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide
SMILESCc1ccnc(C(NC(=O)c2ccccc2O)C2CC2)n1
InChIInChI=1S/C16H17N3O2/c1-10-8-9-17-15(18-10)14(11-6-7-11)19-16(21)12-4-2-3-5-13(12)20/h2-5,8-9,11,14,20H,6-7H2,1H3,(H,19,21)
InChIKeyVNJYPTJVYNLBLV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.37
Rot. Bonds4

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide (PubChem CID 75444590) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide
PubChem CID75444590
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide
SMILESCc1ccnc(C(NC(=O)c2ccccc2O)C2CC2)n1
InChIInChI=1S/C16H17N3O2/c1-10-8-9-17-15(18-10)14(11-6-7-11)19-16(21)12-4-2-3-5-13(12)20/h2-5,8-9,11,14,20H,6-7H2,1H3,(H,19,21)
InChIKeyVNJYPTJVYNLBLV-UHFFFAOYSA-N
XLogP2.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide (CID 75444590) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide is Cc1ccnc(C(NC(=O)c2ccccc2O)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide?
The InChIKey is VNJYPTJVYNLBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-8-9-17-15(18-10)14(11-6-7-11)19-16(21)12-4-2-3-5-13(12)20/h2-5,8-9,11,14,20H,6-7H2,1H3,(H,19,21).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 75444590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).