N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C17H23N5O2 — CID 45239557

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1cc(CN(C)C(=O)C(c2cccnc2)N2CCOCC2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-13-10-15(20-19-13)12-21(2)17(23)16(14-4-3-5-18-11-14)22-6-8-24-9-7-22/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,19,20)
InChIKeyMPJJBOIUSGBGJB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.15
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 45239557) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID45239557
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1cc(CN(C)C(=O)C(c2cccnc2)N2CCOCC2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-13-10-15(20-19-13)12-21(2)17(23)16(14-4-3-5-18-11-14)22-6-8-24-9-7-22/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,19,20)
InChIKeyMPJJBOIUSGBGJB-UHFFFAOYSA-N
XLogP1.15
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 45239557) is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is Cc1cc(CN(C)C(=O)C(c2cccnc2)N2CCOCC2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is MPJJBOIUSGBGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-10-15(20-19-13)12-21(2)17(23)16(14-4-3-5-18-11-14)22-6-8-24-9-7-22/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 329.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 45239557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).