6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C17H23N5O2 — CID 2738866

IUPAC6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H23N5O2/c1-12-15(13(2)21(3)20-12)11-19-17(23)14-4-5-16(18-10-14)22-6-8-24-9-7-22/h4-5,10H,6-9,11H2,1-3H3,(H,19,23)
InChIKeyNNUHWQVEEVODAU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.20
Rot. Bonds4

About 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 2738866) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID2738866
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H23N5O2/c1-12-15(13(2)21(3)20-12)11-19-17(23)14-4-5-16(18-10-14)22-6-8-24-9-7-22/h4-5,10H,6-9,11H2,1-3H3,(H,19,23)
InChIKeyNNUHWQVEEVODAU-UHFFFAOYSA-N
XLogP1.20
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 2738866) is 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is NNUHWQVEEVODAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-15(13(2)21(3)20-12)11-19-17(23)14-4-5-16(18-10-14)22-6-8-24-9-7-22/h4-5,10H,6-9,11H2,1-3H3,(H,19,23).
What are the key properties of 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 2738866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).