2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide

C13H18N6O — CID 155563860

IUPAC2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide
SMILESN#Cc1cc(C(N)=O)c(N)nc1N[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C13H18N6O/c14-6-7-5-8(12(17)20)11(16)19-13(7)18-10-4-2-1-3-9(10)15/h5,9-10H,1-4,15H2,(H2,17,20)(H3,16,18,19)/t9-,10+/m0/s1
InChIKeyFSWMVYAMDQAFDD-VHSXEESVSA-N
MW274.33 g/mol
LogP0.32
Rot. Bonds3

About 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide

2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide (PubChem CID 155563860) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide
PubChem CID155563860
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide
SMILESN#Cc1cc(C(N)=O)c(N)nc1N[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C13H18N6O/c14-6-7-5-8(12(17)20)11(16)19-13(7)18-10-4-2-1-3-9(10)15/h5,9-10H,1-4,15H2,(H2,17,20)(H3,16,18,19)/t9-,10+/m0/s1
InChIKeyFSWMVYAMDQAFDD-VHSXEESVSA-N
XLogP0.32
TPSA143.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide (CID 155563860) is 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide is N#Cc1cc(C(N)=O)c(N)nc1N[C@@H]1CCCC[C@@H]1N.
What is the InChIKey of 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide?
The InChIKey is FSWMVYAMDQAFDD-VHSXEESVSA-N. The full InChI is InChI=1S/C13H18N6O/c14-6-7-5-8(12(17)20)11(16)19-13(7)18-10-4-2-1-3-9(10)15/h5,9-10H,1-4,15H2,(H2,17,20)(H3,16,18,19)/t9-,10+/m0/s1.
What are the key properties of 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide?
2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide is sourced from PubChem (CID 155563860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).