N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide

C21H15N3O2 — CID 122302221

IUPACN-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H15N3O2/c25-20(17-11-10-15-6-4-5-7-16(15)12-17)24-18-13-22-21(23-14-18)26-19-8-2-1-3-9-19/h1-14H,(H,24,25)
InChIKeyKVMOITYGNZTXKR-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.67
Rot. Bonds4

About N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide

N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide (PubChem CID 122302221) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
PubChem CID122302221
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC NameN-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H15N3O2/c25-20(17-11-10-15-6-4-5-7-16(15)12-17)24-18-13-22-21(23-14-18)26-19-8-2-1-3-9-19/h1-14H,(H,24,25)
InChIKeyKVMOITYGNZTXKR-UHFFFAOYSA-N
XLogP4.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302430
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
N-(2-phenoxypyrimidin-5-yl)quinoxaline-2-carboxamide
CID 122302374
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
CID 170421570
N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide
CID 86098575
N-(2-phenoxypyrimidin-5-yl)prop-2-enamide
CID 139021184

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide (CID 122302221) is N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide is O=C(Nc1cnc(Oc2ccccc2)nc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide?
The InChIKey is KVMOITYGNZTXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-20(17-11-10-15-6-4-5-7-16(15)12-17)24-18-13-22-21(23-14-18)26-19-8-2-1-3-9-19/h1-14H,(H,24,25).
What are the key properties of N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide?
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 122302221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).