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

C20H24N6O3 — CID 154995264

IUPAC(2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
SMILESCN/N=c1/cc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)ccn1C=O
InChIInChI=1S/C20H24N6O3/c1-21-23-18-12-16(5-8-25(18)14-27)26-9-10-29-17-11-15(13-22-19(17)26)20(28)24-6-3-2-4-7-24/h5,8,11-14,21H,2-4,6-7,9-10H2,1H3/b23-18-
InChIKeyLQZFPVUGKNWZGM-NKFKGCMQSA-N
MW396.45 g/mol
LogP1.11
Rot. Bonds4

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

(2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde (PubChem CID 154995264) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is (2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name(2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
PubChem CID154995264
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name(2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
SMILESCN/N=c1/cc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)ccn1C=O
InChIInChI=1S/C20H24N6O3/c1-21-23-18-12-16(5-8-25(18)14-27)26-9-10-29-17-11-15(13-22-19(17)26)20(28)24-6-3-2-4-7-24/h5,8,11-14,21H,2-4,6-7,9-10H2,1H3/b23-18-
InChIKeyLQZFPVUGKNWZGM-NKFKGCMQSA-N
XLogP1.11
TPSA92.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 166886962
3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
CID 154994400
methyl (E)-3-methyl-4-[2-methylimino-4-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-4-oxobut-2-enoate
CID 166886215
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
(2Z)-4-[8-chloro-7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(methylhydrazinylidene)pyridine-1-carbaldehyde
CID 167390566
4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde
CID 166887537
N,1-dimethyl-6-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]indole-2-carboxamide
CID 167390570
3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 166887089
methyl 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylate
CID 166887132
(2Z)-2-(methylhydrazinylidene)-4-[6-(1-oxa-8-azaspiro[3.5]nonane-8-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 154995070
2-(methylaminomethyl)-4-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-pyridine-1-carbaldehyde
CID 154993990
7-[7-(4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154994598

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde?
The IUPAC name of (2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde (CID 154995264) is (2Z)-2-(methylhydrazinylidene)-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 (2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde?
The canonical SMILES for (2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde is CN/N=c1/cc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)ccn1C=O.
What is the InChIKey of (2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde?
The InChIKey is LQZFPVUGKNWZGM-NKFKGCMQSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-21-23-18-12-16(5-8-25(18)14-27)26-9-10-29-17-11-15(13-22-19(17)26)20(28)24-6-3-2-4-7-24/h5,8,11-14,21H,2-4,6-7,9-10H2,1H3/b23-18-.
What are the key properties of (2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde?
(2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde has a molecular weight of 396.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde is sourced from PubChem (CID 154995264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).