N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

C15H26N4O — CID 22196186

IUPACN-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NC1CCCCCC1)Cc1cnn(C)c1
InChIInChI=1S/C15H26N4O/c1-18(10-13-9-16-19(2)11-13)12-15(20)17-14-7-5-3-4-6-8-14/h9,11,14H,3-8,10,12H2,1-2H3,(H,17,20)
InChIKeyXNDMDSAKGVRKNW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.69
Rot. Bonds5

About N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 22196186) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID22196186
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NC1CCCCCC1)Cc1cnn(C)c1
InChIInChI=1S/C15H26N4O/c1-18(10-13-9-16-19(2)11-13)12-15(20)17-14-7-5-3-4-6-8-14/h9,11,14H,3-8,10,12H2,1-2H3,(H,17,20)
InChIKeyXNDMDSAKGVRKNW-UHFFFAOYSA-N
XLogP1.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (CID 22196186) is N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is CN(CC(=O)NC1CCCCCC1)Cc1cnn(C)c1.
What is the InChIKey of N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is XNDMDSAKGVRKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-18(10-13-9-16-19(2)11-13)12-15(20)17-14-7-5-3-4-6-8-14/h9,11,14H,3-8,10,12H2,1-2H3,(H,17,20).
What are the key properties of N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 22196186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).