N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide

C23H27N5O2 — CID 55777031

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)nn1-c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-16-11-21(26-28(16)20-7-5-4-6-8-20)23(29)25-13-19-9-10-22(24-12-19)27-14-17(2)30-18(3)15-27/h4-12,17-18H,13-15H2,1-3H3,(H,25,29)
InChIKeyWKRWSMUGMSMHES-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.12
Rot. Bonds5

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55777031) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55777031
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)nn1-c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-16-11-21(26-28(16)20-7-5-4-6-8-20)23(29)25-13-19-9-10-22(24-12-19)27-14-17(2)30-18(3)15-27/h4-12,17-18H,13-15H2,1-3H3,(H,25,29)
InChIKeyWKRWSMUGMSMHES-UHFFFAOYSA-N
XLogP3.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46477269
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55710045
1-cyclohexyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55962247
3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710370
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 94066593
5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 60511850

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55777031) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)nn1-c1ccccc1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is WKRWSMUGMSMHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-11-21(26-28(16)20-7-5-4-6-8-20)23(29)25-13-19-9-10-22(24-12-19)27-14-17(2)30-18(3)15-27/h4-12,17-18H,13-15H2,1-3H3,(H,25,29).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55777031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).