3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

C19H21N7O2 — CID 45270415

IUPAC3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccoc2)c(NCCCc2ccccc2)nc1N
InChIInChI=1S/C19H21N7O2/c20-16-15(18(27)26-19(21)22)24-14(13-8-10-28-11-13)17(25-16)23-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H3,20,23,25)(H4,21,22,26,27)
InChIKeyNJRUWTPSRHAWQB-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.78
Rot. Bonds7

About 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (PubChem CID 45270415) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
PubChem CID45270415
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccoc2)c(NCCCc2ccccc2)nc1N
InChIInChI=1S/C19H21N7O2/c20-16-15(18(27)26-19(21)22)24-14(13-8-10-28-11-13)17(25-16)23-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H3,20,23,25)(H4,21,22,26,27)
InChIKeyNJRUWTPSRHAWQB-UHFFFAOYSA-N
XLogP1.78
TPSA158.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(diaminomethylidene)-5-[2-(1H-indol-3-yl)ethylamino]-6-phenylpyrazine-2-carboxamide
CID 165417092
3-[[6-amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]propanoic acid;hydrochloride
CID 57396266
N-(diaminomethylidene)-1-(1-hydroxy-4-phenylbutyl)imidazole-4-carboxamide
CID 22628535
2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide
CID 135604867
6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
CID 81133138
N-(diaminomethylidene)-5-phenylpentanamide
CID 56974578
3,5-diamino-6-(1-benzothiophen-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155553525
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80986988
3-phenylpropylurea;hydrochloride
CID 174579396
3,5-diamino-6-chloro-N-[N'-(3-phenylpropyl)carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
CID 11646674
(1E)-1-[amino-[2-(3,5-diamino-6-chloropyrazine-2-carbonyl)hydrazinyl]methylidene]-2-(3-phenylpropyl)guanidine
CID 57343904

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (CID 45270415) is 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(-c2ccoc2)c(NCCCc2ccccc2)nc1N.
What is the InChIKey of 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The InChIKey is NJRUWTPSRHAWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c20-16-15(18(27)26-19(21)22)24-14(13-8-10-28-11-13)17(25-16)23-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H3,20,23,25)(H4,21,22,26,27).
What are the key properties of 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 45270415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).