3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

C11H18IN5O — CID 119119560

IUPAC3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCC(C)(C/N=C(\N)Nc1ccccn1)C(N)=O.I
InChIInChI=1S/C11H17N5O.HI/c1-11(2,9(12)17)7-15-10(13)16-8-5-3-4-6-14-8;/h3-6H,7H2,1-2H3,(H2,12,17)(H3,13,14,15,16);1H
InChIKeyODHVDRKJVNGEQH-UHFFFAOYSA-N
MW363.20 g/mol
LogP0.94
Rot. Bonds4

About 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 119119560) has the molecular formula C11H18IN5O and a molecular weight of 363.20 g/mol. Its IUPAC name is 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
PubChem CID119119560
Molecular FormulaC11H18IN5O
Molecular Weight363.20 g/mol
Exact Mass363.06
IUPAC Name3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCC(C)(C/N=C(\N)Nc1ccccn1)C(N)=O.I
InChIInChI=1S/C11H17N5O.HI/c1-11(2,9(12)17)7-15-10(13)16-8-5-3-4-6-14-8;/h3-6H,7H2,1-2H3,(H2,12,17)(H3,13,14,15,16);1H
InChIKeyODHVDRKJVNGEQH-UHFFFAOYSA-N
XLogP0.94
TPSA106.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119118280
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea
CID 70506884
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119147213
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
3-[[amino-(3-phenoxyanilino)methylidene]amino]-2,2-dimethylpropanamide
CID 111599274
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119227
2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119159391
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (CID 119119560) is 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is CC(C)(C/N=C(\N)Nc1ccccn1)C(N)=O.I.
What is the InChIKey of 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is ODHVDRKJVNGEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O.HI/c1-11(2,9(12)17)7-15-10(13)16-8-5-3-4-6-14-8;/h3-6H,7H2,1-2H3,(H2,12,17)(H3,13,14,15,16);1H.
What are the key properties of 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 363.20 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 119119560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).