2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide

C24H21N3O2 — CID 122262006

IUPAC2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C24H21N3O2/c1-17(29-23-13-7-11-18-8-5-6-12-21(18)23)24(28)25-15-20-14-22(27-16-26-20)19-9-3-2-4-10-19/h2-14,16-17H,15H2,1H3,(H,25,28)
InChIKeyPXZPOSGZERHRSR-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.38
Rot. Bonds6

About 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide

2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide (PubChem CID 122262006) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
PubChem CID122262006
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C24H21N3O2/c1-17(29-23-13-7-11-18-8-5-6-12-21(18)23)24(28)25-15-20-14-22(27-16-26-20)19-9-3-2-4-10-19/h2-14,16-17H,15H2,1H3,(H,25,28)
InChIKeyPXZPOSGZERHRSR-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261886
2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261861
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262121
2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261805
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
2-(2-methoxy-4-methylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261876
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
2-naphthalen-1-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132660138
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide (CID 122262006) is 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide is CC(Oc1cccc2ccccc12)C(=O)NCc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
The InChIKey is PXZPOSGZERHRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17(29-23-13-7-11-18-8-5-6-12-21(18)23)24(28)25-15-20-14-22(27-16-26-20)19-9-3-2-4-10-19/h2-14,16-17H,15H2,1H3,(H,25,28).
What are the key properties of 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide has a molecular weight of 383.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 122262006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).