6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one

C25H33N7O — CID 68963256

IUPAC6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one
SMILESCN1CCN(C2=CCNC(C3=CC(=O)CC(c4cc(N5CCN(C)CC5)ccn4)=N3)=C2)CC1
InChIInChI=1S/C25H33N7O/c1-29-7-11-31(12-8-29)19-3-5-26-22(15-19)24-17-21(33)18-25(28-24)23-16-20(4-6-27-23)32-13-9-30(2)10-14-32/h3-5,15-16,18,27H,6-14,17H2,1-2H3
InChIKeyPBCMIEIGFMYBHL-UHFFFAOYSA-N
MW447.59 g/mol
LogP1.10
Rot. Bonds4

About 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one

6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one (PubChem CID 68963256) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one
PubChem CID68963256
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one
SMILESCN1CCN(C2=CCNC(C3=CC(=O)CC(c4cc(N5CCN(C)CC5)ccn4)=N3)=C2)CC1
InChIInChI=1S/C25H33N7O/c1-29-7-11-31(12-8-29)19-3-5-26-22(15-19)24-17-21(33)18-25(28-24)23-16-20(4-6-27-23)32-13-9-30(2)10-14-32/h3-5,15-16,18,27H,6-14,17H2,1-2H3
InChIKeyPBCMIEIGFMYBHL-UHFFFAOYSA-N
XLogP1.10
TPSA67.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one with MolForge

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Related Compounds

2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one
CID 135839351
1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
CID 25218278
1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine
CID 25218150
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
CID 25218276
4-pyrrolidin-1-yl-2-(4-pyrrolidin-1-yl-2-pyridinyl)pyridine
CID 11601769
N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline
CID 25216821
2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one
CID 143079223
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
(3E)-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methylidene]pyrrolidin-2-one
CID 69338021
3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 136531288
2,6-bis[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-1H-pyridin-4-one dichloride
CID 169427888

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one (CID 68963256) is 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one is CN1CCN(C2=CCNC(C3=CC(=O)CC(c4cc(N5CCN(C)CC5)ccn4)=N3)=C2)CC1.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one?
The InChIKey is PBCMIEIGFMYBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-29-7-11-31(12-8-29)19-3-5-26-22(15-19)24-17-21(33)18-25(28-24)23-16-20(4-6-27-23)32-13-9-30(2)10-14-32/h3-5,15-16,18,27H,6-14,17H2,1-2H3.
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one?
6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one has a molecular weight of 447.59 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyridin-4-one is sourced from PubChem (CID 68963256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).