N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide

C23H26N6O2 — CID 176803150

IUPACN-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)C)cnn2)cc1-c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C23H26N6O2/c1-15(2)17-12-21(28-25-14-17)22(30)26-18-5-4-16(3)19(13-18)20-6-7-24-23(27-20)29-8-10-31-11-9-29/h4-7,12-15H,8-11H2,1-3H3,(H,26,30)
InChIKeyWGKMLSDXYSSEMP-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.45
Rot. Bonds5

About N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide

N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide (PubChem CID 176803150) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide
PubChem CID176803150
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)C)cnn2)cc1-c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C23H26N6O2/c1-15(2)17-12-21(28-25-14-17)22(30)26-18-5-4-16(3)19(13-18)20-6-7-24-23(27-20)29-8-10-31-11-9-29/h4-7,12-15H,8-11H2,1-3H3,(H,26,30)
InChIKeyWGKMLSDXYSSEMP-UHFFFAOYSA-N
XLogP3.45
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[4-methyl-3-(6-morpholin-4-ylpyrazin-2-yl)phenyl]pyridazine-3-carboxamide
CID 177153123
N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803184
N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803173
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803148
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
CID 176803137
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
[2-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 68760220

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide (CID 176803150) is N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(C)C)cnn2)cc1-c1ccnc(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is WGKMLSDXYSSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15(2)17-12-21(28-25-14-17)22(30)26-18-5-4-16(3)19(13-18)20-6-7-24-23(27-20)29-8-10-31-11-9-29/h4-7,12-15H,8-11H2,1-3H3,(H,26,30).
What are the key properties of N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide?
N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 176803150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).