5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide

C25H27FN4O2 — CID 169228399

IUPAC5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCC1=Nc2ccc(CN3CC=C(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2CC1=O
InChIInChI=1S/C25H27FN4O2/c1-4-20-23(31)13-19-21(29-20)7-5-17(24(19)26)14-30-11-9-16(10-12-30)18-6-8-22(25(32)27-3)28-15(18)2/h5-9H,4,10-14H2,1-3H3,(H,27,32)
InChIKeyGRIQPGPDVOIAJH-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.79
Rot. Bonds5

About 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide

5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 169228399) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID169228399
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCC1=Nc2ccc(CN3CC=C(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2CC1=O
InChIInChI=1S/C25H27FN4O2/c1-4-20-23(31)13-19-21(29-20)7-5-17(24(19)26)14-30-11-9-16(10-12-30)18-6-8-22(25(32)27-3)28-15(18)2/h5-9H,4,10-14H2,1-3H3,(H,27,32)
InChIKeyGRIQPGPDVOIAJH-UHFFFAOYSA-N
XLogP3.79
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide with MolForge

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Related Compounds

6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
CID 170781574
N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide
CID 170781588
N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide
CID 170781580
5-ethyl-N,6-dimethylpyridine-2-carboxamide
CID 166088986
6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
CID 171776710
5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
CID 171776882
5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 171776866
5-[4-[(6-fluoro-2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 172560072
5-[4-[(3-ethyl-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 168900134
6-methyl-5-[1-[[1-methyl-4-(4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
CID 177353325
5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 170981265
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide (CID 169228399) is 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide is CCC1=Nc2ccc(CN3CC=C(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2CC1=O.
What is the InChIKey of 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is GRIQPGPDVOIAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-4-20-23(31)13-19-21(29-20)7-5-17(24(19)26)14-30-11-9-16(10-12-30)18-6-8-22(25(32)27-3)28-15(18)2/h5-9H,4,10-14H2,1-3H3,(H,27,32).
What are the key properties of 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 169228399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).