6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide

C12H18N4O — CID 76996434

IUPAC6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCCN(CC1CC1)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C12H18N4O/c1-2-16(8-9-3-4-9)11-6-5-10(7-14-11)12(13)15-17/h5-7,9,17H,2-4,8H2,1H3,(H2,13,15)
InChIKeyUSHFVOXHJOOAAK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds5

About 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide

6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 76996434) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID76996434
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCCN(CC1CC1)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C12H18N4O/c1-2-16(8-9-3-4-9)11-6-5-10(7-14-11)12(13)15-17/h5-7,9,17H,2-4,8H2,1H3,(H2,13,15)
InChIKeyUSHFVOXHJOOAAK-UHFFFAOYSA-N
XLogP1.41
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 60984897
6-[ethyl(propyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43268817
6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide
CID 102993616
4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398948
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265833
N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
CID 77005162
3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398942
N'-hydroxy-6-[methyl(oxolan-3-yl)amino]pyridine-3-carboximidamide
CID 82739589
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 105414946
N-(cyclopropylmethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 54884608
6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 60985659

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide (CID 76996434) is 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide is CCN(CC1CC1)c1ccc(C(N)=NO)cn1.
What is the InChIKey of 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is USHFVOXHJOOAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-16(8-9-3-4-9)11-6-5-10(7-14-11)12(13)15-17/h5-7,9,17H,2-4,8H2,1H3,(H2,13,15).
What are the key properties of 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide?
6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 76996434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).