N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide

C16H25N5O — CID 95334008

IUPACN-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
SMILESCc1cnn(C[C@@H](C)NCC(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C16H25N5O/c1-13-8-19-21(10-13)11-14(2)18-9-15(22)20-16(12-17)6-4-3-5-7-16/h8,10,14,18H,3-7,9,11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyGHBWFJTXGBERKR-CQSZACIVSA-N
MW303.41 g/mol
LogP1.51
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide

N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide (PubChem CID 95334008) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
PubChem CID95334008
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
SMILESCc1cnn(C[C@@H](C)NCC(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C16H25N5O/c1-13-8-19-21(10-13)11-14(2)18-9-15(22)20-16(12-17)6-4-3-5-7-16/h8,10,14,18H,3-7,9,11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyGHBWFJTXGBERKR-CQSZACIVSA-N
XLogP1.51
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide (CID 95334008) is N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide is Cc1cnn(C[C@@H](C)NCC(=O)NC2(C#N)CCCCC2)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The InChIKey is GHBWFJTXGBERKR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-8-19-21(10-13)11-14(2)18-9-15(22)20-16(12-17)6-4-3-5-7-16/h8,10,14,18H,3-7,9,11H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 95334008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).