N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide

C16H25N5O — CID 95278227

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
SMILESC[C@H](Cn1cccn1)NCC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C16H25N5O/c1-14(12-21-10-6-9-19-21)18-11-15(22)20(2)16(13-17)7-4-3-5-8-16/h6,9-10,14,18H,3-5,7-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyQOZDVLFPYQKTKX-CQSZACIVSA-N
MW303.41 g/mol
LogP1.55
Rot. Bonds6

About N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide (PubChem CID 95278227) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
PubChem CID95278227
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
SMILESC[C@H](Cn1cccn1)NCC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C16H25N5O/c1-14(12-21-10-6-9-19-21)18-11-15(22)20(2)16(13-17)7-4-3-5-8-16/h6,9-10,14,18H,3-5,7-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyQOZDVLFPYQKTKX-CQSZACIVSA-N
XLogP1.55
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide (CID 95278227) is N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide is C[C@H](Cn1cccn1)NCC(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
The InChIKey is QOZDVLFPYQKTKX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5O/c1-14(12-21-10-6-9-19-21)18-11-15(22)20(2)16(13-17)7-4-3-5-8-16/h6,9-10,14,18H,3-5,7-8,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide is sourced from PubChem (CID 95278227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).