2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide

C26H29FN4O3 — CID 90461349

IUPAC2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C26H29FN4O3/c1-16-5-6-19(29-24(32)18-7-10-28-23(13-18)26(2,3)27)14-20(16)22-15-21(25(33)31(4)30-22)17-8-11-34-12-9-17/h5-7,10,13-15,17H,8-9,11-12H2,1-4H3,(H,29,32)
InChIKeyINPBSMUPRHWCCD-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.50
Rot. Bonds5

About 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide

2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide (PubChem CID 90461349) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide
PubChem CID90461349
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C26H29FN4O3/c1-16-5-6-19(29-24(32)18-7-10-28-23(13-18)26(2,3)27)14-20(16)22-15-21(25(33)31(4)30-22)17-8-11-34-12-9-17/h5-7,10,13-15,17H,8-9,11-12H2,1-4H3,(H,29,32)
InChIKeyINPBSMUPRHWCCD-UHFFFAOYSA-N
XLogP4.50
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide
CID 134609630
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
CID 90456439
N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 134609660
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
N-[5-(7-ethyl-6-oxo-1,2,4,5,5a,11b-hexahydrooxepino[4,5-c][1,8]naphthyridin-10-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 139393813
N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 118949141
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
CID 169024539
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide
CID 90463098
N-[3-(10-ethyl-9-oxo-5,8-dioxa-10,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-14-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129271679
N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
CID 90457250
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90410070
N-[4-methyl-3-[2-morpholin-4-yl-6-[(3S)-4,4,4-trifluoro-3-hydroxybut-1-ynyl]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfane
CID 165107587

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide (CID 90461349) is 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2CCOCC2)c(=O)n(C)n1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is INPBSMUPRHWCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-16-5-6-19(29-24(32)18-7-10-28-23(13-18)26(2,3)27)14-20(16)22-15-21(25(33)31(4)30-22)17-8-11-34-12-9-17/h5-7,10,13-15,17H,8-9,11-12H2,1-4H3,(H,29,32).
What are the key properties of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).