2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C22H30N6O — CID 46899720

IUPAC2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1
InChIInChI=1S/C22H30N6O/c1-27-9-11-28(12-10-27)21-15-17(22(23)29)13-19(26-21)16-7-8-24-20(14-16)25-18-5-3-2-4-6-18/h7-8,13-15,18H,2-6,9-12H2,1H3,(H2,23,29)(H,24,25)
InChIKeyNVHXHWFKRHCFCI-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 46899720) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID46899720
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1
InChIInChI=1S/C22H30N6O/c1-27-9-11-28(12-10-27)21-15-17(22(23)29)13-19(26-21)16-7-8-24-20(14-16)25-18-5-3-2-4-6-18/h7-8,13-15,18H,2-6,9-12H2,1H3,(H2,23,29)(H,24,25)
InChIKeyNVHXHWFKRHCFCI-UHFFFAOYSA-N
XLogP2.74
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 46899720) is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1.
What is the InChIKey of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is NVHXHWFKRHCFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-27-9-11-28(12-10-27)21-15-17(22(23)29)13-19(26-21)16-7-8-24-20(14-16)25-18-5-3-2-4-6-18/h7-8,13-15,18H,2-6,9-12H2,1H3,(H2,23,29)(H,24,25).
What are the key properties of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 46899720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).