2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide

C20H28N4O2 — CID 167934049

IUPAC2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide
SMILESN#Cc1cnccc1N[C@H]1CCCC[C@H]1CC(=O)NCC1CCOCC1
InChIInChI=1S/C20H28N4O2/c21-12-17-14-22-8-5-19(17)24-18-4-2-1-3-16(18)11-20(25)23-13-15-6-9-26-10-7-15/h5,8,14-16,18H,1-4,6-7,9-11,13H2,(H,22,24)(H,23,25)/t16-,18-/m0/s1
InChIKeyUCJWBCQMIIZWIP-WMZOPIPTSA-N
MW356.47 g/mol
LogP2.86
Rot. Bonds6

About 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide

2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 167934049) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID167934049
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide
SMILESN#Cc1cnccc1N[C@H]1CCCC[C@H]1CC(=O)NCC1CCOCC1
InChIInChI=1S/C20H28N4O2/c21-12-17-14-22-8-5-19(17)24-18-4-2-1-3-16(18)11-20(25)23-13-15-6-9-26-10-7-15/h5,8,14-16,18H,1-4,6-7,9-11,13H2,(H,22,24)(H,23,25)/t16-,18-/m0/s1
InChIKeyUCJWBCQMIIZWIP-WMZOPIPTSA-N
XLogP2.86
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide with MolForge

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Related Compounds

4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 171358976
4-[(2-methylcyclopropyl)amino]pyridine-3-carbonitrile
CID 130634869
N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
CID 110864676
4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide
CID 119064776
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166287482
3-(oxan-4-ylmethylamino)pyridine-4-carbothioamide
CID 113269693
N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide
CID 166272703
4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile
CID 138005797
tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate
CID 103910163
N-(cyclopentylmethyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256785
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide (CID 167934049) is 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide is N#Cc1cnccc1N[C@H]1CCCC[C@H]1CC(=O)NCC1CCOCC1.
What is the InChIKey of 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is UCJWBCQMIIZWIP-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H28N4O2/c21-12-17-14-22-8-5-19(17)24-18-4-2-1-3-16(18)11-20(25)23-13-15-6-9-26-10-7-15/h5,8,14-16,18H,1-4,6-7,9-11,13H2,(H,22,24)(H,23,25)/t16-,18-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide?
2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 167934049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).