2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide

C23H32N6O — CID 46899722

IUPAC2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCC1(C)CN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CCN1
InChIInChI=1S/C23H32N6O/c1-23(2)15-29(11-10-26-23)21-14-17(22(24)30)12-19(28-21)16-8-9-25-20(13-16)27-18-6-4-3-5-7-18/h8-9,12-14,18,26H,3-7,10-11,15H2,1-2H3,(H2,24,30)(H,25,27)
InChIKeyLTWPQYSXDJCNBR-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.18
Rot. Bonds5

About 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide

2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 46899722) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID46899722
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCC1(C)CN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CCN1
InChIInChI=1S/C23H32N6O/c1-23(2)15-29(11-10-26-23)21-14-17(22(24)30)12-19(28-21)16-8-9-25-20(13-16)27-18-6-4-3-5-7-18/h8-9,12-14,18,26H,3-7,10-11,15H2,1-2H3,(H2,24,30)(H,25,27)
InChIKeyLTWPQYSXDJCNBR-UHFFFAOYSA-N
XLogP3.18
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide (CID 46899722) is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide is CC1(C)CN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CCN1.
What is the InChIKey of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is LTWPQYSXDJCNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-23(2)15-29(11-10-26-23)21-14-17(22(24)30)12-19(28-21)16-8-9-25-20(13-16)27-18-6-4-3-5-7-18/h8-9,12-14,18,26H,3-7,10-11,15H2,1-2H3,(H2,24,30)(H,25,27).
What are the key properties of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide?
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 46899722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).