N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

C26H23N3O3 — CID 23652495

IUPACN-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCOCc1cc(Oc2ccc3c(C(=O)Nc4cccc(C5CC5)c4)cccc3c2)ncn1
InChIInChI=1S/C26H23N3O3/c1-31-15-21-14-25(28-16-27-21)32-22-10-11-23-19(13-22)5-3-7-24(23)26(30)29-20-6-2-4-18(12-20)17-8-9-17/h2-7,10-14,16-17H,8-9,15H2,1H3,(H,29,30)
InChIKeySZKRSFZNGJTZMP-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.70
Rot. Bonds7

About N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 23652495) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID23652495
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCOCc1cc(Oc2ccc3c(C(=O)Nc4cccc(C5CC5)c4)cccc3c2)ncn1
InChIInChI=1S/C26H23N3O3/c1-31-15-21-14-25(28-16-27-21)32-22-10-11-23-19(13-22)5-3-7-24(23)26(30)29-20-6-2-4-18(12-20)17-8-9-17/h2-7,10-14,16-17H,8-9,15H2,1H3,(H,29,30)
InChIKeySZKRSFZNGJTZMP-UHFFFAOYSA-N
XLogP5.70
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23653203
6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 23653451
N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 59813351
6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide
CID 23652869
N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
CID 24824044
6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
CID 68746787
6-(6-aminopyrimidin-4-yl)oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 90947528
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23653137
N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23652435
CID 178083953
CID 178083953
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23652645
N-[3-[2-(dimethylamino)ethyl]phenyl]-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide
CID 59813871

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (CID 23652495) is N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is COCc1cc(Oc2ccc3c(C(=O)Nc4cccc(C5CC5)c4)cccc3c2)ncn1.
What is the InChIKey of N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is SZKRSFZNGJTZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-31-15-21-14-25(28-16-27-21)32-22-10-11-23-19(13-22)5-3-7-24(23)26(30)29-20-6-2-4-18(12-20)17-8-9-17/h2-7,10-14,16-17H,8-9,15H2,1H3,(H,29,30).
What are the key properties of N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 23652495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).