5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide

C26H30FN5O2 — CID 177382176

IUPAC5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1cccc(F)c1
InChIInChI=1S/C26H30FN5O2/c1-18(20-4-3-5-21(27)14-20)29-23-15-24(25(33)28-16-23)26(34)30-22-8-6-19(7-9-22)17-32-12-10-31(2)11-13-32/h3-9,14-16,18,29H,10-13,17H2,1-2H3,(H,28,33)(H,30,34)/t18-/m1/s1
InChIKeyMIZRMGGQRXLBII-GOSISDBHSA-N
MW463.56 g/mol
LogP3.69
Rot. Bonds7

About 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide

5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 177382176) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID177382176
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1cccc(F)c1
InChIInChI=1S/C26H30FN5O2/c1-18(20-4-3-5-21(27)14-20)29-23-15-24(25(33)28-16-23)26(34)30-22-8-6-19(7-9-22)17-32-12-10-31(2)11-13-32/h3-9,14-16,18,29H,10-13,17H2,1-2H3,(H,28,33)(H,30,34)/t18-/m1/s1
InChIKeyMIZRMGGQRXLBII-GOSISDBHSA-N
XLogP3.69
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 71579787
6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
CID 108802554
2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 60935297
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743
[4-[(1-benzylpiperidin-4-yl)-(3-fluorophenyl)methyl]phenyl]carbamic acid
CID 23435913
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
N-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]phenyl]-3-propan-2-yl-2-(4-propan-2-ylphenyl)benzamide
CID 142248904
4-fluoro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524357
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087
[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108765955
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074865

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide (CID 177382176) is 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide is C[C@@H](Nc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1)c1cccc(F)c1.
What is the InChIKey of 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MIZRMGGQRXLBII-GOSISDBHSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-18(20-4-3-5-21(27)14-20)29-23-15-24(25(33)28-16-23)26(34)30-22-8-6-19(7-9-22)17-32-12-10-31(2)11-13-32/h3-9,14-16,18,29H,10-13,17H2,1-2H3,(H,28,33)(H,30,34)/t18-/m1/s1.
What are the key properties of 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 177382176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).