N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline

C19H21N5O — CID 58767197

IUPACN-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline
SMILESCN1CCc2c(cc(C=NNc3ccc(-c4cnco4)cc3)n2C)C1
InChIInChI=1S/C19H21N5O/c1-23-8-7-18-15(12-23)9-17(24(18)2)10-21-22-16-5-3-14(4-6-16)19-11-20-13-25-19/h3-6,9-11,13,22H,7-8,12H2,1-2H3
InChIKeyZGYILBPNGXHCFN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.11
Rot. Bonds4

About N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline

N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 58767197) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline
PubChem CID58767197
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline
SMILESCN1CCc2c(cc(C=NNc3ccc(-c4cnco4)cc3)n2C)C1
InChIInChI=1S/C19H21N5O/c1-23-8-7-18-15(12-23)9-17(24(18)2)10-21-22-16-5-3-14(4-6-16)19-11-20-13-25-19/h3-6,9-11,13,22H,7-8,12H2,1-2H3
InChIKeyZGYILBPNGXHCFN-UHFFFAOYSA-N
XLogP3.11
TPSA58.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.11
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-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline (CID 58767197) is N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline is CN1CCc2c(cc(C=NNc3ccc(-c4cnco4)cc3)n2C)C1.
What is the InChIKey of N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is ZGYILBPNGXHCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-8-7-18-15(12-23)9-17(24(18)2)10-21-22-16-5-3-14(4-6-16)19-11-20-13-25-19/h3-6,9-11,13,22H,7-8,12H2,1-2H3.
What are the key properties of N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline?
N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 335.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 58767197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).