6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C24H28FN5O2 — CID 158634389

IUPAC6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2CC1=O
InChIInChI=1S/C24H28FN5O2/c1-3-4-19-22(31)14-17-13-16(5-6-18(17)27-19)15-29-9-11-30(12-10-29)21-8-7-20(24(32)26-2)28-23(21)25/h5-8,13H,3-4,9-12,14-15H2,1-2H3,(H,26,32)
InChIKeyVKNHZONHHGEWNF-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.90
Rot. Bonds6

About 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 158634389) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID158634389
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2CC1=O
InChIInChI=1S/C24H28FN5O2/c1-3-4-19-22(31)14-17-13-16(5-6-18(17)27-19)15-29-9-11-30(12-10-29)21-8-7-20(24(32)26-2)28-23(21)25/h5-8,13H,3-4,9-12,14-15H2,1-2H3,(H,26,32)
InChIKeyVKNHZONHHGEWNF-UHFFFAOYSA-N
XLogP2.90
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-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

Azd9574
CID 162524593
5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
CID 156596360
Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-fluoro-2-quinolinyl)ethyl]-2-methyl-
CID 5280290
2,3-bis(4-fluorophenyl)-N-[2-(4-methylpiperazino)ethyl]quinoxaline-6-carboxamide
CID 22588034
(e)-n-Hydroxy-3-(6-{(e)-3-[4-(4-methyl-piperazin-1-yl)-phenyl]-3-oxo-propenyl}-pyridin-2-yl)-acrylamide
CID 25183354
(E)-N-hydroxy-3-(6-{(E)-3-[3-(4-methyl-piperazin-1-yl-methyl)-phenyl]-3-oxo-propenyl}-pyridin-2-yl)-acrylamide
CID 25207016
6-[1-[4-(Trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]pyridine-2-carboxamide
CID 118255633
6-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carboxamide
CID 118255648
6-[1-[4-(Trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzodiazepin-7-yl]pyridine-2-carboxamide
CID 118255663
6-[4-methyl-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyridine-2-carboxamide
CID 118267016
6-[4-acetyl-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyridine-2-carboxamide
CID 118267018
5-[4-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155587002

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 158634389) is 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CCCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)cc2CC1=O.
What is the InChIKey of 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is VKNHZONHHGEWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-3-4-19-22(31)14-17-13-16(5-6-18(17)27-19)15-29-9-11-30(12-10-29)21-8-7-20(24(32)26-2)28-23(21)25/h5-8,13H,3-4,9-12,14-15H2,1-2H3,(H,26,32).
What are the key properties of 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-5-[4-[(3-oxo-2-propyl-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158634389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).