1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde

C17H15N5O3 — CID 176661333

IUPAC1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESNCC1CN(c2cncc(-n3ccc4cc(C=O)cnc43)c2)C(=O)O1
InChIInChI=1S/C17H15N5O3/c18-5-15-9-22(17(24)25-15)14-4-13(7-19-8-14)21-2-1-12-3-11(10-23)6-20-16(12)21/h1-4,6-8,10,15H,5,9,18H2
InChIKeyLZWMEAYBIQMYFT-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.52
Rot. Bonds4

About 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde

1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 176661333) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID176661333
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESNCC1CN(c2cncc(-n3ccc4cc(C=O)cnc43)c2)C(=O)O1
InChIInChI=1S/C17H15N5O3/c18-5-15-9-22(17(24)25-15)14-4-13(7-19-8-14)21-2-1-12-3-11(10-23)6-20-16(12)21/h1-4,6-8,10,15H,5,9,18H2
InChIKeyLZWMEAYBIQMYFT-UHFFFAOYSA-N
XLogP1.52
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156810814
5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde
CID 176715770
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
4,4-difluoro-1-methylpiperidine;N-methylformamide;1-(5-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156810925
5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
CID 163261106
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile
CID 163260904
5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 85281072
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 176661333) is 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde is NCC1CN(c2cncc(-n3ccc4cc(C=O)cnc43)c2)C(=O)O1.
What is the InChIKey of 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is LZWMEAYBIQMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c18-5-15-9-22(17(24)25-15)14-4-13(7-19-8-14)21-2-1-12-3-11(10-23)6-20-16(12)21/h1-4,6-8,10,15H,5,9,18H2.
What are the key properties of 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 337.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 176661333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).