N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide

C26H24N6O4 — CID 173108133

IUPACN-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC(N)=NN=C(N)NC(=O)c3ccc(-c4cccc(C)c4)o3)o2)cc1
InChIInChI=1S/C26H24N6O4/c1-15-6-8-17(9-7-15)19-10-12-21(35-19)23(33)29-25(27)31-32-26(28)30-24(34)22-13-11-20(36-22)18-5-3-4-16(2)14-18/h3-14H,1-2H3,(H3,27,29,31,33)(H3,28,30,32,34)
InChIKeyIZEZAVFQSYRVCC-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.53
Rot. Bonds5

About N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide

N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide (PubChem CID 173108133) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide
PubChem CID173108133
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC NameN-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC(N)=NN=C(N)NC(=O)c3ccc(-c4cccc(C)c4)o3)o2)cc1
InChIInChI=1S/C26H24N6O4/c1-15-6-8-17(9-7-15)19-10-12-21(35-19)23(33)29-25(27)31-32-26(28)30-24(34)22-13-11-20(36-22)18-5-3-4-16(2)14-18/h3-14H,1-2H3,(H3,27,29,31,33)(H3,28,30,32,34)
InChIKeyIZEZAVFQSYRVCC-UHFFFAOYSA-N
XLogP3.53
TPSA161.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 173108252
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide
CID 54267096
5-(3-methylphenyl)furan-2-carboxylate
CID 6957364
5-(3-hydroxyphenyl)-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142532375
N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide
CID 17047093
5-(3-chlorophenyl)-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 880542
1-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]-3-(2,5-dimethylphenyl)thiourea
CID 18871754
N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5262323
5-(4-chlorophenyl)-N'-[2-(3-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 24502806
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309

Frequently Asked Questions

What is the IUPAC name of N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide (CID 173108133) is N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NC(N)=NN=C(N)NC(=O)c3ccc(-c4cccc(C)c4)o3)o2)cc1.
What is the InChIKey of N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is IZEZAVFQSYRVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-15-6-8-17(9-7-15)19-10-12-21(35-19)23(33)29-25(27)31-32-26(28)30-24(34)22-13-11-20(36-22)18-5-3-4-16(2)14-18/h3-14H,1-2H3,(H3,27,29,31,33)(H3,28,30,32,34).
What are the key properties of N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide?
N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 173108133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).