N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline

C18H17N5O — CID 58767156

IUPACN-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline
SMILESCN1Cc2cnc(C=NNc3ccc(-c4cnco4)cc3)cc2C1
InChIInChI=1S/C18H17N5O/c1-23-10-14-6-17(20-7-15(14)11-23)8-21-22-16-4-2-13(3-5-16)18-9-19-12-24-18/h2-9,12,22H,10-11H2,1H3
InChIKeyQZEIZPLBFXJCRK-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.13
Rot. Bonds4

About N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline

N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 58767156) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline
PubChem CID58767156
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline
SMILESCN1Cc2cnc(C=NNc3ccc(-c4cnco4)cc3)cc2C1
InChIInChI=1S/C18H17N5O/c1-23-10-14-6-17(20-7-15(14)11-23)8-21-22-16-4-2-13(3-5-16)18-9-19-12-24-18/h2-9,12,22H,10-11H2,1H3
InChIKeyQZEIZPLBFXJCRK-UHFFFAOYSA-N
XLogP3.13
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline (CID 58767156) is N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline is CN1Cc2cnc(C=NNc3ccc(-c4cnco4)cc3)cc2C1.
What is the InChIKey of N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is QZEIZPLBFXJCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23-10-14-6-17(20-7-15(14)11-23)8-21-22-16-4-2-13(3-5-16)18-9-19-12-24-18/h2-9,12,22H,10-11H2,1H3.
What are the key properties of N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline?
N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 319.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 58767156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).