N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide

C20H34N4O — CID 2741675

IUPACN-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCCC2)c(N(CC)CC)n1
InChIInChI=1S/C20H34N4O/c1-5-23(6-2)18-15-14-17(19(22-18)24(7-3)8-4)21-20(25)16-12-10-9-11-13-16/h14-16H,5-13H2,1-4H3,(H,21,25)
InChIKeyVQJBUZXJGOTJOK-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.29
Rot. Bonds8

About N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide

N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 2741675) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide
PubChem CID2741675
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC NameN-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCCC2)c(N(CC)CC)n1
InChIInChI=1S/C20H34N4O/c1-5-23(6-2)18-15-14-17(19(22-18)24(7-3)8-4)21-20(25)16-12-10-9-11-13-16/h14-16H,5-13H2,1-4H3,(H,21,25)
InChIKeyVQJBUZXJGOTJOK-UHFFFAOYSA-N
XLogP4.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide (CID 2741675) is N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide is CCN(CC)c1ccc(NC(=O)C2CCCCC2)c(N(CC)CC)n1.
What is the InChIKey of N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is VQJBUZXJGOTJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-5-23(6-2)18-15-14-17(19(22-18)24(7-3)8-4)21-20(25)16-12-10-9-11-13-16/h14-16H,5-13H2,1-4H3,(H,21,25).
What are the key properties of N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide?
N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 346.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(diethylamino)-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 2741675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).