2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide

C13H16N4O — CID 133365711

IUPAC2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC2CCCCC2C(N)=O)nc1
InChIInChI=1S/C13H16N4O/c14-7-9-5-6-12(16-8-9)17-11-4-2-1-3-10(11)13(15)18/h5-6,8,10-11H,1-4H2,(H2,15,18)(H,16,17)
InChIKeyDLFCUTCEMCRJKM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.41
Rot. Bonds3

About 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide

2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide (PubChem CID 133365711) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide
PubChem CID133365711
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC2CCCCC2C(N)=O)nc1
InChIInChI=1S/C13H16N4O/c14-7-9-5-6-12(16-8-9)17-11-4-2-1-3-10(11)13(15)18/h5-6,8,10-11H,1-4H2,(H2,15,18)(H,16,17)
InChIKeyDLFCUTCEMCRJKM-UHFFFAOYSA-N
XLogP1.41
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide
CID 97158745
6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
CID 43598833
6-[[(1S,2S)-2-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]cyclohexyl]amino]pyridine-3-carbonitrile
CID 167990005
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
CID 106443960
N-[2-(bromomethyl)cyclopentyl]-5-cyanopyridine-2-carboxamide
CID 106366366
2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide
CID 133419370
4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 121284898
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide (CID 133365711) is 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide is N#Cc1ccc(NC2CCCCC2C(N)=O)nc1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide?
The InChIKey is DLFCUTCEMCRJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-7-9-5-6-12(16-8-9)17-11-4-2-1-3-10(11)13(15)18/h5-6,8,10-11H,1-4H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide?
2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 133365711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).