N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide

C18H21N3O — CID 142391900

IUPACN-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide
SMILESO=CN(Cc1cccc(-c2ncccn2)c1)C1CCCCC1
InChIInChI=1S/C18H21N3O/c22-14-21(17-8-2-1-3-9-17)13-15-6-4-7-16(12-15)18-19-10-5-11-20-18/h4-7,10-12,14,17H,1-3,8-9,13H2
InChIKeyHEWFXTHGTBRQSP-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.43
Rot. Bonds5

About N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide

N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide (PubChem CID 142391900) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide
PubChem CID142391900
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide
SMILESO=CN(Cc1cccc(-c2ncccn2)c1)C1CCCCC1
InChIInChI=1S/C18H21N3O/c22-14-21(17-8-2-1-3-9-17)13-15-6-4-7-16(12-15)18-19-10-5-11-20-18/h4-7,10-12,14,17H,1-3,8-9,13H2
InChIKeyHEWFXTHGTBRQSP-UHFFFAOYSA-N
XLogP3.43
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide?
The IUPAC name of N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide (CID 142391900) is N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide.
What is the SMILES notation for N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide?
The canonical SMILES for N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide is O=CN(Cc1cccc(-c2ncccn2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide?
The InChIKey is HEWFXTHGTBRQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-14-21(17-8-2-1-3-9-17)13-15-6-4-7-16(12-15)18-19-10-5-11-20-18/h4-7,10-12,14,17H,1-3,8-9,13H2.
What are the key properties of N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide?
N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide has a molecular weight of 295.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3-pyrimidin-2-ylphenyl)methyl]formamide is sourced from PubChem (CID 142391900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).