4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide

C12H20N4O — CID 135965085

IUPAC4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
SMILESCCCN(CCC)c1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H20N4O/c1-3-7-16(8-4-2)10-5-6-14-11(9-10)12(13)15-17/h5-6,9,17H,3-4,7-8H2,1-2H3,(H2,13,15)
InChIKeyVKJUFHNIRQNRRE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.80
Rot. Bonds6

About 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide

4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 135965085) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
PubChem CID135965085
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
SMILESCCCN(CCC)c1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H20N4O/c1-3-7-16(8-4-2)10-5-6-14-11(9-10)12(13)15-17/h5-6,9,17H,3-4,7-8H2,1-2H3,(H2,13,15)
InChIKeyVKJUFHNIRQNRRE-UHFFFAOYSA-N
XLogP1.80
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.80
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'}

Analyze 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide 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

N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide
CID 135965054
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
CID 136990539
2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid
CID 61007224
N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136952000
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide
CID 135965118
N-cyclopentyl-4-(dipropylamino)pyridine-2-carboxamide
CID 109204064
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
4-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214653
N'-hydroxy-4-(pentylsulfanylmethyl)pyridine-2-carboximidamide
CID 136806090
N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide
CID 154430664
4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211971

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide (CID 135965085) is 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide is CCCN(CCC)c1ccnc(/C(N)=N/O)c1.
What is the InChIKey of 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is VKJUFHNIRQNRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-7-16(8-4-2)10-5-6-14-11(9-10)12(13)15-17/h5-6,9,17H,3-4,7-8H2,1-2H3,(H2,13,15).
What are the key properties of 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide?
4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 236.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 135965085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).