N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide

C23H25N5O3 — CID 110088626

IUPACN-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
SMILESCc1[nH]ncc1C(=O)N1CCOC(Cc2ccccn2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C23H25N5O3/c1-17-20(15-26-27-17)21(29)28-11-12-31-23(16-28,13-19-9-5-6-10-24-19)22(30)25-14-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,25,30)(H,26,27)
InChIKeyWBMYLDPARQNZLI-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.88
Rot. Bonds6

About N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide

N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide (PubChem CID 110088626) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
PubChem CID110088626
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
SMILESCc1[nH]ncc1C(=O)N1CCOC(Cc2ccccn2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C23H25N5O3/c1-17-20(15-26-27-17)21(29)28-11-12-31-23(16-28,13-19-9-5-6-10-24-19)22(30)25-14-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,25,30)(H,26,27)
InChIKeyWBMYLDPARQNZLI-UHFFFAOYSA-N
XLogP1.88
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide (CID 110088626) is N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide is Cc1[nH]ncc1C(=O)N1CCOC(Cc2ccccn2)(C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The InChIKey is WBMYLDPARQNZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-17-20(15-26-27-17)21(29)28-11-12-31-23(16-28,13-19-9-5-6-10-24-19)22(30)25-14-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 110088626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).