2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide

C19H19N3O3 — CID 122301952

IUPAC2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
SMILESCCOc1ncc(NC(=O)c2c(OCC)ccc3ccccc23)cn1
InChIInChI=1S/C19H19N3O3/c1-3-24-16-10-9-13-7-5-6-8-15(13)17(16)18(23)22-14-11-20-19(21-12-14)25-4-2/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyMRLHZQXXPDCLNJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.68
Rot. Bonds6

About 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide

2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide (PubChem CID 122301952) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
PubChem CID122301952
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
SMILESCCOc1ncc(NC(=O)c2c(OCC)ccc3ccccc23)cn1
InChIInChI=1S/C19H19N3O3/c1-3-24-16-10-9-13-7-5-6-8-15(13)17(16)18(23)22-14-11-20-19(21-12-14)25-4-2/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyMRLHZQXXPDCLNJ-UHFFFAOYSA-N
XLogP3.68
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
CID 122325711
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide
CID 122301792
2-ethoxy-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
CID 122316756
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 121062474
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide
CID 90634235
3-[(2-ethoxynaphthalene-1-carbonyl)amino]-1-benzofuran-2-carboxamide
CID 7385763
2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide
CID 121046316
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 16831288
N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
CID 122301767

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide (CID 122301952) is 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide is CCOc1ncc(NC(=O)c2c(OCC)ccc3ccccc23)cn1.
What is the InChIKey of 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide?
The InChIKey is MRLHZQXXPDCLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-24-16-10-9-13-7-5-6-8-15(13)17(16)18(23)22-14-11-20-19(21-12-14)25-4-2/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide?
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 122301952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).