4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide

C18H25N5O2 — CID 154778845

IUPAC4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)Nc1nn(-c2cccnc2)cc1C
InChIInChI=1S/C18H25N5O2/c1-3-4-8-22-9-10-25-13-16(22)18(24)20-17-14(2)12-23(21-17)15-6-5-7-19-11-15/h5-7,11-12,16H,3-4,8-10,13H2,1-2H3,(H,20,21,24)
InChIKeyDKLDGCCSFQOTGF-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.02
Rot. Bonds6

About 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide

4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide (PubChem CID 154778845) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide
PubChem CID154778845
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)Nc1nn(-c2cccnc2)cc1C
InChIInChI=1S/C18H25N5O2/c1-3-4-8-22-9-10-25-13-16(22)18(24)20-17-14(2)12-23(21-17)15-6-5-7-19-11-15/h5-7,11-12,16H,3-4,8-10,13H2,1-2H3,(H,20,21,24)
InChIKeyDKLDGCCSFQOTGF-UHFFFAOYSA-N
XLogP2.02
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide?
The IUPAC name of 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide (CID 154778845) is 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide is CCCCN1CCOCC1C(=O)Nc1nn(-c2cccnc2)cc1C.
What is the InChIKey of 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide?
The InChIKey is DKLDGCCSFQOTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-4-8-22-9-10-25-13-16(22)18(24)20-17-14(2)12-23(21-17)15-6-5-7-19-11-15/h5-7,11-12,16H,3-4,8-10,13H2,1-2H3,(H,20,21,24).
What are the key properties of 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide?
4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-methyl-1-pyridin-3-ylpyrazol-3-yl)morpholine-3-carboxamide is sourced from PubChem (CID 154778845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).