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

C21H22N6O2 — CID 91816322

IUPAC6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)ncn1
InChIInChI=1S/C21H22N6O2/c1-2-29-20-13-18(22-14-23-20)21(28)24-16-7-5-15(6-8-16)17-9-10-19(26-25-17)27-11-3-4-12-27/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,28)
InChIKeyZQGMVRXGRZPLRY-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.18
Rot. Bonds6

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

6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 91816322) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID91816322
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)ncn1
InChIInChI=1S/C21H22N6O2/c1-2-29-20-13-18(22-14-23-20)21(28)24-16-7-5-15(6-8-16)17-9-10-19(26-25-17)27-11-3-4-12-27/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,28)
InChIKeyZQGMVRXGRZPLRY-UHFFFAOYSA-N
XLogP3.18
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide
CID 121046316
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
ethyl 4-[[6-(azepan-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109355569
N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098839
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 41077843
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
5-bromo-2-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 41077945
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide (CID 91816322) is 6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)ncn1.
What is the InChIKey of 6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is ZQGMVRXGRZPLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-2-29-20-13-18(22-14-23-20)21(28)24-16-7-5-15(6-8-16)17-9-10-19(26-25-17)27-11-3-4-12-27/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,28).
What are the key properties of 6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide?
6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91816322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).