3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide

C21H23N5O2 — CID 124978150

IUPAC3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCn1nccc1CN1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1
InChIInChI=1S/C21H23N5O2/c1-25-17(8-9-23-25)13-26-10-11-28-20(14-26)19-7-3-6-18(24-19)15-4-2-5-16(12-15)21(22)27/h2-9,12,20H,10-11,13-14H2,1H3,(H2,22,27)/t20-/m1/s1
InChIKeyLRSSMFSRWHEHQC-HXUWFJFHSA-N
MW377.45 g/mol
LogP2.15
Rot. Bonds5

About 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide

3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 124978150) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID124978150
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCn1nccc1CN1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1
InChIInChI=1S/C21H23N5O2/c1-25-17(8-9-23-25)13-26-10-11-28-20(14-26)19-7-3-6-18(24-19)15-4-2-5-16(12-15)21(22)27/h2-9,12,20H,10-11,13-14H2,1H3,(H2,22,27)/t20-/m1/s1
InChIKeyLRSSMFSRWHEHQC-HXUWFJFHSA-N
XLogP2.15
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide (CID 124978150) is 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide is Cn1nccc1CN1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1.
What is the InChIKey of 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is LRSSMFSRWHEHQC-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-17(8-9-23-25)13-26-10-11-28-20(14-26)19-7-3-6-18(24-19)15-4-2-5-16(12-15)21(22)27/h2-9,12,20H,10-11,13-14H2,1H3,(H2,22,27)/t20-/m1/s1.
What are the key properties of 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 124978150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).