1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one

C27H29N5O3 — CID 166886766

IUPAC1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one
SMILES[H]/N=c1\cc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)ccn1C(=O)CCc1ccccc1
InChIInChI=1S/C27H29N5O3/c28-24-18-22(11-14-32(24)25(33)10-9-20-7-3-1-4-8-20)31-15-16-35-23-17-21(19-29-26(23)31)27(34)30-12-5-2-6-13-30/h1,3-4,7-8,11,14,17-19,28H,2,5-6,9-10,12-13,15-16H2/b28-24+
InChIKeyWHXNKGSRMDMOMN-ZZIIXHQDSA-N
MW471.56 g/mol
LogP3.79
Rot. Bonds5

About 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one

1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one (PubChem CID 166886766) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one
PubChem CID166886766
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one
SMILES[H]/N=c1\cc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)ccn1C(=O)CCc1ccccc1
InChIInChI=1S/C27H29N5O3/c28-24-18-22(11-14-32(24)25(33)10-9-20-7-3-1-4-8-20)31-15-16-35-23-17-21(19-29-26(23)31)27(34)30-12-5-2-6-13-30/h1,3-4,7-8,11,14,17-19,28H,2,5-6,9-10,12-13,15-16H2/b28-24+
InChIKeyWHXNKGSRMDMOMN-ZZIIXHQDSA-N
XLogP3.79
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one with MolForge

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Related Compounds

3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
CID 154994400
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide
CID 166887531
2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 166886962
1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one
CID 166886748
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
(2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 154995264
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
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
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-(3-chlorophenyl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994284
1-[4-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylidenebutan-1-one
CID 166886644

Frequently Asked Questions

What is the IUPAC name of 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one (CID 166886766) is 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one is [H]/N=c1\cc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)ccn1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one?
The InChIKey is WHXNKGSRMDMOMN-ZZIIXHQDSA-N. The full InChI is InChI=1S/C27H29N5O3/c28-24-18-22(11-14-32(24)25(33)10-9-20-7-3-1-4-8-20)31-15-16-35-23-17-21(19-29-26(23)31)27(34)30-12-5-2-6-13-30/h1,3-4,7-8,11,14,17-19,28H,2,5-6,9-10,12-13,15-16H2/b28-24+.
What are the key properties of 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one?
1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one has a molecular weight of 471.56 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one is sourced from PubChem (CID 166886766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).