N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide

C26H24N6O6 — CID 173108252

IUPACN-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NC(N)=NN=C(N)NC(=O)c3ccc(-c4ccccc4OC)o3)o2)c1
InChIInChI=1S/C26H24N6O6/c1-35-16-7-5-6-15(14-16)18-10-12-21(37-18)23(33)29-25(27)31-32-26(28)30-24(34)22-13-11-20(38-22)17-8-3-4-9-19(17)36-2/h3-14H,1-2H3,(H3,27,29,31,33)(H3,28,30,32,34)
InChIKeyFJAVLFGCEMPNQP-UHFFFAOYSA-N
MW516.51 g/mol
LogP2.93
Rot. Bonds7

About N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide

N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide (PubChem CID 173108252) has the molecular formula C26H24N6O6 and a molecular weight of 516.51 g/mol. Its IUPAC name is N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide
PubChem CID173108252
Molecular FormulaC26H24N6O6
Molecular Weight516.51 g/mol
Exact Mass516.18
IUPAC NameN-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NC(N)=NN=C(N)NC(=O)c3ccc(-c4ccccc4OC)o3)o2)c1
InChIInChI=1S/C26H24N6O6/c1-35-16-7-5-6-15(14-16)18-10-12-21(37-18)23(33)29-25(27)31-32-26(28)30-24(34)22-13-11-20(38-22)17-8-3-4-9-19(17)36-2/h3-14H,1-2H3,(H3,27,29,31,33)(H3,28,30,32,34)
InChIKeyFJAVLFGCEMPNQP-UHFFFAOYSA-N
XLogP2.93
TPSA179.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.51
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[N'-[[amino-[[5-(2-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methylphenyl)furan-2-carboxamide
CID 136509951
N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 173108133
(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid
CID 170211559
(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanedioic acid
CID 169205452
methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate
CID 170884284
2-(2-methoxyphenyl)-5-(4-methoxyphenyl)furan
CID 132514365
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 134710433
2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
CID 174295636
5-(furan-2-yl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 71690130
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249

Frequently Asked Questions

What is the IUPAC name of N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide (CID 173108252) is N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide is COc1cccc(-c2ccc(C(=O)NC(N)=NN=C(N)NC(=O)c3ccc(-c4ccccc4OC)o3)o2)c1.
What is the InChIKey of N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The InChIKey is FJAVLFGCEMPNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O6/c1-35-16-7-5-6-15(14-16)18-10-12-21(37-18)23(33)29-25(27)31-32-26(28)30-24(34)22-13-11-20(38-22)17-8-3-4-9-19(17)36-2/h3-14H,1-2H3,(H3,27,29,31,33)(H3,28,30,32,34).
What are the key properties of N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide has a molecular weight of 516.51 g/mol, XLogP of 2.93, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 173108252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).