5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one

C17H24N4O2 — CID 152948224

IUPAC5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one
SMILES[H]/N=C(/C(=O)Cc1ccc([C@@H]2CNCCO2)nc1)C(C)=C(N)CC
InChIInChI=1S/C17H24N4O2/c1-3-13(18)11(2)17(19)15(22)8-12-4-5-14(21-9-12)16-10-20-6-7-23-16/h4-5,9,16,19-20H,3,6-8,10,18H2,1-2H3/b13-11?,19-17+/t16-/m0/s1
InChIKeyFMVGKXQISBHCGI-OIDPHNHESA-N
MW316.41 g/mol
LogP1.52
Rot. Bonds6

About 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one

5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one (PubChem CID 152948224) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one.

Molecular Properties

Compound Name5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one
PubChem CID152948224
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one
SMILES[H]/N=C(/C(=O)Cc1ccc([C@@H]2CNCCO2)nc1)C(C)=C(N)CC
InChIInChI=1S/C17H24N4O2/c1-3-13(18)11(2)17(19)15(22)8-12-4-5-14(21-9-12)16-10-20-6-7-23-16/h4-5,9,16,19-20H,3,6-8,10,18H2,1-2H3/b13-11?,19-17+/t16-/m0/s1
InChIKeyFMVGKXQISBHCGI-OIDPHNHESA-N
XLogP1.52
TPSA101.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-chloro-3-imino-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]oct-4-en-2-one
CID 159725830
5-amino-4-chloro-3-imino-1-(6-morpholin-2-yl-3-pyridinyl)oct-4-en-2-one
CID 159725831
(E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide
CID 145452915
1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone
CID 159544218
4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide
CID 134518390
2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone
CID 158428533
2-(6-tert-butylpyridazin-3-yl)morpholine
CID 140941619
(2R)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 153159323
(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 161462801
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548
4-methyl-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
CID 123703173
5-morpholin-2-ylpyrazine-2-carboxylic acid
CID 67151543

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one?
The IUPAC name of 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one (CID 152948224) is 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one.
What is the SMILES notation for 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one?
The canonical SMILES for 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one is [H]/N=C(/C(=O)Cc1ccc([C@@H]2CNCCO2)nc1)C(C)=C(N)CC.
What is the InChIKey of 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one?
The InChIKey is FMVGKXQISBHCGI-OIDPHNHESA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-13(18)11(2)17(19)15(22)8-12-4-5-14(21-9-12)16-10-20-6-7-23-16/h4-5,9,16,19-20H,3,6-8,10,18H2,1-2H3/b13-11?,19-17+/t16-/m0/s1.
What are the key properties of 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one?
5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one is sourced from PubChem (CID 152948224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).