2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide

C14H22N4O — CID 64822752

IUPAC2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCCCC2N)cn1
InChIInChI=1S/C14H22N4O/c1-18(2)13-8-7-10(9-16-13)17-14(19)11-5-3-4-6-12(11)15/h7-9,11-12H,3-6,15H2,1-2H3,(H,17,19)
InChIKeyIWTJRRUFLSIBRY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.60
Rot. Bonds3

About 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide

2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 64822752) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide
PubChem CID64822752
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCCCC2N)cn1
InChIInChI=1S/C14H22N4O/c1-18(2)13-8-7-10(9-16-13)17-14(19)11-5-3-4-6-12(11)15/h7-9,11-12H,3-6,15H2,1-2H3,(H,17,19)
InChIKeyIWTJRRUFLSIBRY-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide (CID 64822752) is 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide is CN(C)c1ccc(NC(=O)C2CCCCC2N)cn1.
What is the InChIKey of 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is IWTJRRUFLSIBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(2)13-8-7-10(9-16-13)17-14(19)11-5-3-4-6-12(11)15/h7-9,11-12H,3-6,15H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide?
2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64822752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).