2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde

C20H23N5O3 — CID 166886962

IUPAC2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
SMILESC/N=c1\cc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)ccn1C=O
InChIInChI=1S/C20H23N5O3/c1-21-18-12-16(5-8-24(18)14-26)25-9-10-28-17-11-15(13-22-19(17)25)20(27)23-6-3-2-4-7-23/h5,8,11-14H,2-4,6-7,9-10H2,1H3/b21-18+
InChIKeyAUARFVQPHZOCDD-DYTRJAOYSA-N
MW381.44 g/mol
LogP1.61
Rot. Bonds3

About 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde

2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde (PubChem CID 166886962) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
PubChem CID166886962
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
SMILESC/N=c1\cc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)ccn1C=O
InChIInChI=1S/C20H23N5O3/c1-21-18-12-16(5-8-24(18)14-26)25-9-10-28-17-11-15(13-22-19(17)25)20(27)23-6-3-2-4-7-23/h5,8,11-14H,2-4,6-7,9-10H2,1H3/b21-18+
InChIKeyAUARFVQPHZOCDD-DYTRJAOYSA-N
XLogP1.61
TPSA80.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde?
The IUPAC name of 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde (CID 166886962) is 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde.
What is the SMILES notation for 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde?
The canonical SMILES for 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde is C/N=c1\cc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)ccn1C=O.
What is the InChIKey of 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde?
The InChIKey is AUARFVQPHZOCDD-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-21-18-12-16(5-8-24(18)14-26)25-9-10-28-17-11-15(13-22-19(17)25)20(27)23-6-3-2-4-7-23/h5,8,11-14H,2-4,6-7,9-10H2,1H3/b21-18+.
What are the key properties of 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde?
2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde has a molecular weight of 381.44 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde is sourced from PubChem (CID 166886962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).