N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide

C25H29FN6O2 — CID 143646175

IUPACN-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide
SMILESCc1c(NC=O)cccc1-c1cc(Nc2ccc(N3CCN(CCF)CC3)cn2)c(=O)n(C)c1
InChIInChI=1S/C25H29FN6O2/c1-18-21(4-3-5-22(18)28-17-33)19-14-23(25(34)30(2)16-19)29-24-7-6-20(15-27-24)32-12-10-31(9-8-26)11-13-32/h3-7,14-17H,8-13H2,1-2H3,(H,27,29)(H,28,33)
InChIKeyHRHCXEUSVCZWSD-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.16
Rot. Bonds8

About N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide

N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide (PubChem CID 143646175) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide
PubChem CID143646175
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC NameN-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide
SMILESCc1c(NC=O)cccc1-c1cc(Nc2ccc(N3CCN(CCF)CC3)cn2)c(=O)n(C)c1
InChIInChI=1S/C25H29FN6O2/c1-18-21(4-3-5-22(18)28-17-33)19-14-23(25(34)30(2)16-19)29-24-7-6-20(15-27-24)32-12-10-31(9-8-26)11-13-32/h3-7,14-17H,8-13H2,1-2H3,(H,27,29)(H,28,33)
InChIKeyHRHCXEUSVCZWSD-UHFFFAOYSA-N
XLogP3.16
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide with MolForge

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Related Compounds

5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one
CID 68859040
5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one
CID 68900378
4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 24901369
4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide
CID 24901230
N-[2-methyl-3-[1-methyl-6-oxo-5-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-3-pyridinyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24900437
N-[2-methyl-3-[1-methyl-5-[[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3-thiatricyclo[5.2.1.02,6]deca-2(6),4-diene-4-carboxamide
CID 44511776
2-[2-(hydroxymethyl)-3-[5-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]phenyl]-6-prop-1-en-2-ylphthalazin-1-one
CID 67678913
4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 24901370
3-[5-[[6-[4-(2-cyanoethyl)piperazin-1-yl]pyridazin-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylbenzamide
CID 68772032
2-[2-ethyl-5-fluoro-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-[1]benzothiolo[2,3-c]pyridin-1-one
CID 58044013
2-[2-ethyl-3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]phenyl]-3,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-c]pyridin-1-one
CID 58044172
2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-fluoro-2-(hydroxymethyl)phenyl]pyrazino[1,2-a]indol-1-one
CID 123392510

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide?
The IUPAC name of N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide (CID 143646175) is N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide.
What is the SMILES notation for N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide?
The canonical SMILES for N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide is Cc1c(NC=O)cccc1-c1cc(Nc2ccc(N3CCN(CCF)CC3)cn2)c(=O)n(C)c1.
What is the InChIKey of N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide?
The InChIKey is HRHCXEUSVCZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-18-21(4-3-5-22(18)28-17-33)19-14-23(25(34)30(2)16-19)29-24-7-6-20(15-27-24)32-12-10-31(9-8-26)11-13-32/h3-7,14-17H,8-13H2,1-2H3,(H,27,29)(H,28,33).
What are the key properties of N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide?
N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide has a molecular weight of 464.55 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide is sourced from PubChem (CID 143646175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).