N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide

C32H35FN6O5 — CID 176972758

IUPACN-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide
SMILESCC(C)Oc1cc(-c2ccc(C#N)cc2C(=O)N2CC(F)C2)cc(NC(=O)c2cc(CNC[C@@H]3CCCO3)cn(C)c2=O)n1
InChIInChI=1S/C32H35FN6O5/c1-19(2)44-29-12-22(25-7-6-20(13-34)9-26(25)32(42)39-17-23(33)18-39)11-28(36-29)37-30(40)27-10-21(16-38(3)31(27)41)14-35-15-24-5-4-8-43-24/h6-7,9-12,16,19,23-24,35H,4-5,8,14-15,17-18H2,1-3H3,(H,36,37,40)/t24-/m0/s1
InChIKeyGKTVOOBIQHYCPA-DEOSSOPVSA-N
MW602.67 g/mol
LogP3.42
Rot. Bonds10

About N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide

N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide (PubChem CID 176972758) has the molecular formula C32H35FN6O5 and a molecular weight of 602.67 g/mol. Its IUPAC name is N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide
PubChem CID176972758
Molecular FormulaC32H35FN6O5
Molecular Weight602.67 g/mol
Exact Mass602.27
IUPAC NameN-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide
SMILESCC(C)Oc1cc(-c2ccc(C#N)cc2C(=O)N2CC(F)C2)cc(NC(=O)c2cc(CNC[C@@H]3CCCO3)cn(C)c2=O)n1
InChIInChI=1S/C32H35FN6O5/c1-19(2)44-29-12-22(25-7-6-20(13-34)9-26(25)32(42)39-17-23(33)18-39)11-28(36-29)37-30(40)27-10-21(16-38(3)31(27)41)14-35-15-24-5-4-8-43-24/h6-7,9-12,16,19,23-24,35H,4-5,8,14-15,17-18H2,1-3H3,(H,36,37,40)/t24-/m0/s1
InChIKeyGKTVOOBIQHYCPA-DEOSSOPVSA-N
XLogP3.42
TPSA138.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.67
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-ethoxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide;molecular hydrogen
CID 176972407
N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-1-methyl-5-[[[(2S)-oxan-2-yl]methylamino]methyl]-2-oxopyridine-3-carboxamide
CID 176972337
5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide
CID 176972335
N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-hydroxyphenyl]-2-pyridinyl]-5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 176972860
N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
CID 176972480
N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(2,2-difluoroethoxy)-2-pyridinyl]-1-cyclopropyl-5-formyl-2-oxopyridine-3-carboxamide
CID 176972612
1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide
CID 176972740
1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide
CID 176972738
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline
CID 84750567
1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-2-pyridinyl]-5-[(2-methoxyethylamino)methyl]-2-oxopyridine-3-carboxamide;ethane
CID 176972474
N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide;2,3-dihydro-1,4-dioxine
CID 176972606

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide (CID 176972758) is N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide is CC(C)Oc1cc(-c2ccc(C#N)cc2C(=O)N2CC(F)C2)cc(NC(=O)c2cc(CNC[C@@H]3CCCO3)cn(C)c2=O)n1.
What is the InChIKey of N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide?
The InChIKey is GKTVOOBIQHYCPA-DEOSSOPVSA-N. The full InChI is InChI=1S/C32H35FN6O5/c1-19(2)44-29-12-22(25-7-6-20(13-34)9-26(25)32(42)39-17-23(33)18-39)11-28(36-29)37-30(40)27-10-21(16-38(3)31(27)41)14-35-15-24-5-4-8-43-24/h6-7,9-12,16,19,23-24,35H,4-5,8,14-15,17-18H2,1-3H3,(H,36,37,40)/t24-/m0/s1.
What are the key properties of N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide?
N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide has a molecular weight of 602.67 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 176972758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).