(3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide

C22H25N5O3 — CID 146551927

IUPAC(3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)[C@@H]1COCCN1c1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H25N5O3/c1-23-22(29)20-15-30-9-8-27(20)19-10-21(28)25(2)14-18(19)17-11-24-26(13-17)12-16-6-4-3-5-7-16/h3-7,10-11,13-14,20H,8-9,12,15H2,1-2H3,(H,23,29)/t20-/m0/s1
InChIKeyDXDJNBWHWOJAAG-FQEVSTJZSA-N
MW407.47 g/mol
LogP1.25
Rot. Bonds5

About (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide

(3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide (PubChem CID 146551927) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide
PubChem CID146551927
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)[C@@H]1COCCN1c1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H25N5O3/c1-23-22(29)20-15-30-9-8-27(20)19-10-21(28)25(2)14-18(19)17-11-24-26(13-17)12-16-6-4-3-5-7-16/h3-7,10-11,13-14,20H,8-9,12,15H2,1-2H3,(H,23,29)/t20-/m0/s1
InChIKeyDXDJNBWHWOJAAG-FQEVSTJZSA-N
XLogP1.25
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide
CID 140929068
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355148
(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide
CID 135355563
N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
CID 135355362
5-(1-benzylpyrazol-4-yl)-1-methyl-4-methylsulfonylpyridin-2-one
CID 140929105
N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
CID 135355345
4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
CID 83106780
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
5-(1-benzylpyrazol-4-yl)-4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]-1-methylpyridin-2-one
CID 146627596
3-amino-4-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103492
4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide
CID 83106929
4-[4-(aminomethyl)-2-bromophenyl]-N-methylmorpholine-3-carboxamide
CID 83106146

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide (CID 146551927) is (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide is CNC(=O)[C@@H]1COCCN1c1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1.
What is the InChIKey of (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is DXDJNBWHWOJAAG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-23-22(29)20-15-30-9-8-27(20)19-10-21(28)25(2)14-18(19)17-11-24-26(13-17)12-16-6-4-3-5-7-16/h3-7,10-11,13-14,20H,8-9,12,15H2,1-2H3,(H,23,29)/t20-/m0/s1.
What are the key properties of (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide?
(3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 146551927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).