(Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide

C21H24N6O — CID 166572000

IUPAC(Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide
SMILES[H]/N=C(\C=C(\C)NCC)/N=C(\C)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C21H24N6O/c1-5-24-13(3)8-19(22)26-14(4)20-15-9-17(16-10-23-7-6-12(16)2)25-11-18(15)27-21(20)28/h6-11,22,24,27-28H,5H2,1-4H3/b13-8-,22-19+,26-14+
InChIKeyCUEOFZSNZOTHSZ-VSLSCKKOSA-N
MW376.46 g/mol
LogP3.94
Rot. Bonds5

About (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide

(Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide (PubChem CID 166572000) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide
PubChem CID166572000
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name(Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide
SMILES[H]/N=C(\C=C(\C)NCC)/N=C(\C)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C21H24N6O/c1-5-24-13(3)8-19(22)26-14(4)20-15-9-17(16-10-23-7-6-12(16)2)25-11-18(15)27-21(20)28/h6-11,22,24,27-28H,5H2,1-4H3/b13-8-,22-19+,26-14+
InChIKeyCUEOFZSNZOTHSZ-VSLSCKKOSA-N
XLogP3.94
TPSA110.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide with MolForge

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Related Compounds

3-[(E)-C-methyl-N-(5-methyl-1,3-thiazol-2-yl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781817
3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463086
3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463162
3-[N-[1-(3-hydroxy-3-methylbutyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781839
3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146462774
3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 150823366
3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781854
1-[4-[4-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylideneamino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 156781862
3-[C-methyl-N-[6-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463012
3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146462731
(Z)-N-[1-(2-chloro-6-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)ethylidene]-3-(methylamino)prop-2-enimidamide
CID 166571927
N-ethyl-2-(4-methyl-3-pyridinyl)pyridin-4-amine
CID 102824842

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide?
The IUPAC name of (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide (CID 166572000) is (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide.
What is the SMILES notation for (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide?
The canonical SMILES for (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide is [H]/N=C(\C=C(\C)NCC)/N=C(\C)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.
What is the InChIKey of (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide?
The InChIKey is CUEOFZSNZOTHSZ-VSLSCKKOSA-N. The full InChI is InChI=1S/C21H24N6O/c1-5-24-13(3)8-19(22)26-14(4)20-15-9-17(16-10-23-7-6-12(16)2)25-11-18(15)27-21(20)28/h6-11,22,24,27-28H,5H2,1-4H3/b13-8-,22-19+,26-14+.
What are the key properties of (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide?
(Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide has a molecular weight of 376.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide is sourced from PubChem (CID 166572000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).