6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide

C14H22N4O — CID 102738868

IUPAC6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N[C@@H]2CCCC[C@H]2N)nc1
InChIInChI=1S/C14H22N4O/c1-18(2)14(19)10-7-8-13(16-9-10)17-12-6-4-3-5-11(12)15/h7-9,11-12H,3-6,15H2,1-2H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyLTUHFBLUARPOMG-VXGBXAGGSA-N
MW262.36 g/mol
LogP1.47
Rot. Bonds3

About 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide

6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 102738868) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID102738868
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N[C@@H]2CCCC[C@H]2N)nc1
InChIInChI=1S/C14H22N4O/c1-18(2)14(19)10-7-8-13(16-9-10)17-12-6-4-3-5-11(12)15/h7-9,11-12H,3-6,15H2,1-2H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyLTUHFBLUARPOMG-VXGBXAGGSA-N
XLogP1.47
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide (CID 102738868) is 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(N[C@@H]2CCCC[C@H]2N)nc1.
What is the InChIKey of 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is LTUHFBLUARPOMG-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(2)14(19)10-7-8-13(16-9-10)17-12-6-4-3-5-11(12)15/h7-9,11-12H,3-6,15H2,1-2H3,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide?
6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 102738868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).