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

C23H34N6O — CID 143907886

IUPAC2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide
SMILESCCCC(CC)Nc1cc(-c2cc(C(N)=O)cc(N3CCNC(C)(C)C3)n2)ccn1
InChIInChI=1S/C23H34N6O/c1-5-7-18(6-2)27-20-13-16(8-9-25-20)19-12-17(22(24)30)14-21(28-19)29-11-10-26-23(3,4)15-29/h8-9,12-14,18,26H,5-7,10-11,15H2,1-4H3,(H2,24,30)(H,25,27)
InChIKeyISFRZHSBLJPAFE-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.42
Rot. Bonds8

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

2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide (PubChem CID 143907886) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide
PubChem CID143907886
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide
SMILESCCCC(CC)Nc1cc(-c2cc(C(N)=O)cc(N3CCNC(C)(C)C3)n2)ccn1
InChIInChI=1S/C23H34N6O/c1-5-7-18(6-2)27-20-13-16(8-9-25-20)19-12-17(22(24)30)14-21(28-19)29-11-10-26-23(3,4)15-29/h8-9,12-14,18,26H,5-7,10-11,15H2,1-4H3,(H2,24,30)(H,25,27)
InChIKeyISFRZHSBLJPAFE-UHFFFAOYSA-N
XLogP3.42
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide (CID 143907886) is 2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide is CCCC(CC)Nc1cc(-c2cc(C(N)=O)cc(N3CCNC(C)(C)C3)n2)ccn1.
What is the InChIKey of 2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide?
The InChIKey is ISFRZHSBLJPAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-5-7-18(6-2)27-20-13-16(8-9-25-20)19-12-17(22(24)30)14-21(28-19)29-11-10-26-23(3,4)15-29/h8-9,12-14,18,26H,5-7,10-11,15H2,1-4H3,(H2,24,30)(H,25,27).
What are the key properties of 2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide?
2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide has a molecular weight of 410.57 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 143907886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).