N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C17H25N5O — CID 56753831

IUPACN-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCCN(CC)c1ncccc1CNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C17H25N5O/c1-5-22(6-2)17-14(8-7-9-18-17)11-19-16(23)10-15-12(3)20-21-13(15)4/h7-9H,5-6,10-11H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyLLWPZAOAYBSCDY-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.13
Rot. Bonds7

About N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 56753831) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID56753831
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCCN(CC)c1ncccc1CNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C17H25N5O/c1-5-22(6-2)17-14(8-7-9-18-17)11-19-16(23)10-15-12(3)20-21-13(15)4/h7-9H,5-6,10-11H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyLLWPZAOAYBSCDY-UHFFFAOYSA-N
XLogP2.13
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 56753831) is N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is CCN(CC)c1ncccc1CNC(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is LLWPZAOAYBSCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-5-22(6-2)17-14(8-7-9-18-17)11-19-16(23)10-15-12(3)20-21-13(15)4/h7-9H,5-6,10-11H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 56753831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).