N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide

C23H22FN5O2 — CID 22498997

IUPACN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESCC1(C)CC(=O)Nc2cc(NC(=O)c3cccnc3NCc3ncccc3F)ccc21
InChIInChI=1S/C23H22FN5O2/c1-23(2)12-20(30)29-18-11-14(7-8-16(18)23)28-22(31)15-5-3-10-26-21(15)27-13-19-17(24)6-4-9-25-19/h3-11H,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,30)
InChIKeyNARIEGZPTZFJTM-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.10
Rot. Bonds5

About N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide

N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide (PubChem CID 22498997) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide
PubChem CID22498997
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESCC1(C)CC(=O)Nc2cc(NC(=O)c3cccnc3NCc3ncccc3F)ccc21
InChIInChI=1S/C23H22FN5O2/c1-23(2)12-20(30)29-18-11-14(7-8-16(18)23)28-22(31)15-5-3-10-26-21(15)27-13-19-17(24)6-4-9-25-19/h3-11H,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,30)
InChIKeyNARIEGZPTZFJTM-UHFFFAOYSA-N
XLogP4.10
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 58942005
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498856
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249397
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
N-(5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-8-yl)-2-fluoropyridine-3-carboxamide
CID 69263023
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
CID 11682965
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide
CID 67823812
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide
CID 18952446
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096
N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498869
N-[3,3-dimethyl-1-(pyrrolidin-1-ylmethyl)-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10456774
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-3,4-dimethylbenzamide;N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3,4-dimethylbenzamide;ethane
CID 143219465

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide (CID 22498997) is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide is CC1(C)CC(=O)Nc2cc(NC(=O)c3cccnc3NCc3ncccc3F)ccc21.
What is the InChIKey of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide?
The InChIKey is NARIEGZPTZFJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-23(2)12-20(30)29-18-11-14(7-8-16(18)23)28-22(31)15-5-3-10-26-21(15)27-13-19-17(24)6-4-9-25-19/h3-11H,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,30).
What are the key properties of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide?
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 22498997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).