N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H25N5O2 — CID 38543765

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-13-16(14(2)22(3)21-13)11-17(24)20-12-15-5-4-6-19-18(15)23-7-9-25-10-8-23/h4-6H,7-12H2,1-3H3,(H,20,24)
InChIKeyZMOLVMRBPWOODE-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.13
Rot. Bonds5

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 38543765) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID38543765
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-13-16(14(2)22(3)21-13)11-17(24)20-12-15-5-4-6-19-18(15)23-7-9-25-10-8-23/h4-6H,7-12H2,1-3H3,(H,20,24)
InChIKeyZMOLVMRBPWOODE-UHFFFAOYSA-N
XLogP1.13
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 38543765) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ZMOLVMRBPWOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-16(14(2)22(3)21-13)11-17(24)20-12-15-5-4-6-19-18(15)23-7-9-25-10-8-23/h4-6H,7-12H2,1-3H3,(H,20,24).
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 38543765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).