2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide

C27H26N4O2 — CID 121046316

IUPAC2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C27H26N4O2/c1-2-33-24-15-11-19-7-3-4-8-22(19)26(24)27(32)28-21-12-9-20(10-13-21)23-14-16-25(30-29-23)31-17-5-6-18-31/h3-4,7-16H,2,5-6,17-18H2,1H3,(H,28,32)
InChIKeyJWTQXAOZSMWKDF-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.55
Rot. Bonds6

About 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide

2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 121046316) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide
PubChem CID121046316
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C27H26N4O2/c1-2-33-24-15-11-19-7-3-4-8-22(19)26(24)27(32)28-21-12-9-20(10-13-21)23-14-16-25(30-29-23)31-17-5-6-18-31/h3-4,7-16H,2,5-6,17-18H2,1H3,(H,28,32)
InChIKeyJWTQXAOZSMWKDF-UHFFFAOYSA-N
XLogP5.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide
CID 91816322
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43992248
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide
CID 7593425
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992490
2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 121046314
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide (CID 121046316) is 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is JWTQXAOZSMWKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-2-33-24-15-11-19-7-3-4-8-22(19)26(24)27(32)28-21-12-9-20(10-13-21)23-14-16-25(30-29-23)31-17-5-6-18-31/h3-4,7-16H,2,5-6,17-18H2,1H3,(H,28,32).
What are the key properties of 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide?
2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 121046316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).