N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole

C24H24N4O4 — CID 145336303

IUPACN-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole
SMILESN#Cc1cc(-c2ccnc(NC=O)c2)ccc1OC1CCOCC1.c1cc(C2CC2)on1
InChIInChI=1S/C18H17N3O3.C6H7NO/c19-11-15-9-13(14-3-6-20-18(10-14)21-12-22)1-2-17(15)24-16-4-7-23-8-5-16;1-2-5(1)6-3-4-7-8-6/h1-3,6,9-10,12,16H,4-5,7-8H2,(H,20,21,22);3-5H,1-2H2
InChIKeyMMFSWJZQZJGAGY-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.30
Rot. Bonds6

About N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole

N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole (PubChem CID 145336303) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound NameN-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole
PubChem CID145336303
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole
SMILESN#Cc1cc(-c2ccnc(NC=O)c2)ccc1OC1CCOCC1.c1cc(C2CC2)on1
InChIInChI=1S/C18H17N3O3.C6H7NO/c19-11-15-9-13(14-3-6-20-18(10-14)21-12-22)1-2-17(15)24-16-4-7-23-8-5-16;1-2-5(1)6-3-4-7-8-6/h1-3,6,9-10,12,16H,4-5,7-8H2,(H,20,21,22);3-5H,1-2H2
InChIKeyMMFSWJZQZJGAGY-UHFFFAOYSA-N
XLogP4.30
TPSA110.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 71295188
6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 71295333
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 129244208
cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129256376
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 129243991
5-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
CID 71295091
N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 129244301
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 129244011
5-[2-[[6-methoxy-5-(1-methylpyrrolidin-3-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
CID 138576539
2-(oxan-4-yloxy)-5-[2-[(6-oxo-1H-pyridazin-3-yl)amino]pyrimidin-4-yl]benzonitrile
CID 71295114
5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71295372
N-[4-[3-cyano-4-[3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]formamide
CID 129270870

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole?
The IUPAC name of N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole (CID 145336303) is N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole.
What is the SMILES notation for N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole?
The canonical SMILES for N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole is N#Cc1cc(-c2ccnc(NC=O)c2)ccc1OC1CCOCC1.c1cc(C2CC2)on1.
What is the InChIKey of N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole?
The InChIKey is MMFSWJZQZJGAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3.C6H7NO/c19-11-15-9-13(14-3-6-20-18(10-14)21-12-22)1-2-17(15)24-16-4-7-23-8-5-16;1-2-5(1)6-3-4-7-8-6/h1-3,6,9-10,12,16H,4-5,7-8H2,(H,20,21,22);3-5H,1-2H2.
What are the key properties of N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole?
N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole has a molecular weight of 432.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 145336303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).