N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide

C14H22N4O2 — CID 136868751

IUPACN'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide
SMILESCC1(O)CCCN(Cc2ccnc(/C(N)=N/O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(19)4-2-7-18(8-5-14)10-11-3-6-16-12(9-11)13(15)17-20/h3,6,9,19-20H,2,4-5,7-8,10H2,1H3,(H2,15,17)
InChIKeyRSHGOKFBSIJQPP-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.91
Rot. Bonds3

About N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 136868751) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID136868751
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide
SMILESCC1(O)CCCN(Cc2ccnc(/C(N)=N/O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(19)4-2-7-18(8-5-14)10-11-3-6-16-12(9-11)13(15)17-20/h3,6,9,19-20H,2,4-5,7-8,10H2,1H3,(H2,15,17)
InChIKeyRSHGOKFBSIJQPP-UHFFFAOYSA-N
XLogP0.91
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136733801
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655
N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
CID 136960068
4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 103356372
4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882036
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 63882107
1-[(4-chloro-2-pyridinyl)methyl]-4-methylazepan-4-ol
CID 107404146
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107403894
4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136726415
N'-hydroxy-4-[[2-(hydroxymethyl)azepan-1-yl]methyl]pyridine-2-carboximidamide
CID 136941768
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
CID 63880856
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 65281763

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide (CID 136868751) is N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide is CC1(O)CCCN(Cc2ccnc(/C(N)=N/O)c2)CC1.
What is the InChIKey of N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is RSHGOKFBSIJQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(19)4-2-7-18(8-5-14)10-11-3-6-16-12(9-11)13(15)17-20/h3,6,9,19-20H,2,4-5,7-8,10H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136868751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).