4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide

C17H21N5O3 — CID 47028999

IUPAC4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCc1cccnc1-n1cccn1
InChIInChI=1S/C17H21N5O3/c23-15(4-5-16(24)21-9-11-25-12-10-21)19-13-14-3-1-6-18-17(14)22-8-2-7-20-22/h1-3,6-8H,4-5,9-13H2,(H,19,23)
InChIKeyURNSVJKYYQWENU-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.52
Rot. Bonds6

About 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide

4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide (PubChem CID 47028999) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
PubChem CID47028999
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCc1cccnc1-n1cccn1
InChIInChI=1S/C17H21N5O3/c23-15(4-5-16(24)21-9-11-25-12-10-21)19-13-14-3-1-6-18-17(14)22-8-2-7-20-22/h1-3,6-8H,4-5,9-13H2,(H,19,23)
InChIKeyURNSVJKYYQWENU-UHFFFAOYSA-N
XLogP0.52
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide (CID 47028999) is 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide is O=C(CCC(=O)N1CCOCC1)NCc1cccnc1-n1cccn1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is URNSVJKYYQWENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-15(4-5-16(24)21-9-11-25-12-10-21)19-13-14-3-1-6-18-17(14)22-8-2-7-20-22/h1-3,6-8H,4-5,9-13H2,(H,19,23).
What are the key properties of 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 343.39 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 47028999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).