(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide

C18H22N6O — CID 143770122

IUPAC(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide
SMILESCOc1cc(/C=C/C(N)=N/C2=NCCCC2)cnc1-n1cnc(C)c1
InChIInChI=1S/C18H22N6O/c1-13-11-24(12-22-13)18-15(25-2)9-14(10-21-18)6-7-16(19)23-17-5-3-4-8-20-17/h6-7,9-12H,3-5,8H2,1-2H3,(H2,19,20,23)/b7-6+
InChIKeyLDTKMZQVFPYHOP-VOTSOKGWSA-N
MW338.42 g/mol
LogP2.54
Rot. Bonds4

About (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide

(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide (PubChem CID 143770122) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide
PubChem CID143770122
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide
SMILESCOc1cc(/C=C/C(N)=N/C2=NCCCC2)cnc1-n1cnc(C)c1
InChIInChI=1S/C18H22N6O/c1-13-11-24(12-22-13)18-15(25-2)9-14(10-21-18)6-7-16(19)23-17-5-3-4-8-20-17/h6-7,9-12H,3-5,8H2,1-2H3,(H2,19,20,23)/b7-6+
InChIKeyLDTKMZQVFPYHOP-VOTSOKGWSA-N
XLogP2.54
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 66839567
(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-[2-oxo-3-(3,4,5-trifluorophenyl)-1,3-diazinan-1-yl]prop-2-enamide
CID 66839382
(E,E)-N-[(2E)-2-butylidene-3-(4-fluorophenyl)-1,3-diazinan-1-yl]-4-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]but-3-en-2-imine
CID 143770234
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
tert-butyl (2Z)-5-chloro-2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methylidene]pentanoate
CID 66960843
2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 66839162
5-chloro-N'-[3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enoyl]-2-(3,4,5-trifluorophenyl)pentanehydrazide
CID 77194981
(5E)-6-chloro-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4-dihydro-2H-pyridine;methane
CID 143996347
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
8-(3,4-difluorophenyl)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 66839654
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methylprop-2-enamide
CID 142686276
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide?
The IUPAC name of (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide (CID 143770122) is (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide.
What is the SMILES notation for (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide?
The canonical SMILES for (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide is COc1cc(/C=C/C(N)=N/C2=NCCCC2)cnc1-n1cnc(C)c1.
What is the InChIKey of (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide?
The InChIKey is LDTKMZQVFPYHOP-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-11-24(12-22-13)18-15(25-2)9-14(10-21-18)6-7-16(19)23-17-5-3-4-8-20-17/h6-7,9-12H,3-5,8H2,1-2H3,(H2,19,20,23)/b7-6+.
What are the key properties of (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide?
(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide has a molecular weight of 338.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N'-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enimidamide is sourced from PubChem (CID 143770122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).