2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide

C25H26N6O2 — CID 169270027

IUPAC2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide
SMILESCc1cc(C(C)Nc2ccccc2/C(N)=N/NN)c2oc(-c3ccccn3)c(C)c(=O)c2c1
InChIInChI=1S/C25H26N6O2/c1-14-12-18(16(3)29-20-9-5-4-8-17(20)25(26)30-31-27)24-19(13-14)22(32)15(2)23(33-24)21-10-6-7-11-28-21/h4-13,16,29,31H,27H2,1-3H3,(H2,26,30)
InChIKeyVFGFWZUACGEYBY-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.73
Rot. Bonds6

About 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide

2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide (PubChem CID 169270027) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide
PubChem CID169270027
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide
SMILESCc1cc(C(C)Nc2ccccc2/C(N)=N/NN)c2oc(-c3ccccn3)c(C)c(=O)c2c1
InChIInChI=1S/C25H26N6O2/c1-14-12-18(16(3)29-20-9-5-4-8-17(20)25(26)30-31-27)24-19(13-14)22(32)15(2)23(33-24)21-10-6-7-11-28-21/h4-13,16,29,31H,27H2,1-3H3,(H2,26,30)
InChIKeyVFGFWZUACGEYBY-UHFFFAOYSA-N
XLogP3.73
TPSA131.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide with MolForge

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Related Compounds

6-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2,3-difluoro-N'-hydroxybenzenecarboximidamide
CID 174166908
2-[1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethylamino]-N'-hydrazinyl-5-methylbenzenecarboximidamide
CID 169268718
6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-N-methoxypyridine-2-carboxamide
CID 169269486
N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide
CID 169270864
8-[1-[[2-(tert-butylamino)sulfanyl-6-chloro-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyridin-2-ylchromen-4-one
CID 169268715
N-tert-butyl-6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]pyridine-2-sulfonamide
CID 170421589
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
2-[[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]benzoic acid
CID 166111101
8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170867
8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174203272

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide?
The IUPAC name of 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide (CID 169270027) is 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide.
What is the SMILES notation for 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide?
The canonical SMILES for 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide is Cc1cc(C(C)Nc2ccccc2/C(N)=N/NN)c2oc(-c3ccccn3)c(C)c(=O)c2c1.
What is the InChIKey of 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide?
The InChIKey is VFGFWZUACGEYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-14-12-18(16(3)29-20-9-5-4-8-17(20)25(26)30-31-27)24-19(13-14)22(32)15(2)23(33-24)21-10-6-7-11-28-21/h4-13,16,29,31H,27H2,1-3H3,(H2,26,30).
What are the key properties of 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide?
2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide has a molecular weight of 442.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide is sourced from PubChem (CID 169270027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).