N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide

C15H14N4O — CID 107920748

IUPACN'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2Cc2ccncc2)c1
InChIInChI=1S/C15H14N4O/c16-15(18-20)13-1-2-14-12(9-13)5-8-19(14)10-11-3-6-17-7-4-11/h1-9,20H,10H2,(H2,16,18)
InChIKeyXUTFCUOQIPGDCY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.18
Rot. Bonds3

About N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide

N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide (PubChem CID 107920748) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide
PubChem CID107920748
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2Cc2ccncc2)c1
InChIInChI=1S/C15H14N4O/c16-15(18-20)13-1-2-14-12(9-13)5-8-19(14)10-11-3-6-17-7-4-11/h1-9,20H,10H2,(H2,16,18)
InChIKeyXUTFCUOQIPGDCY-UHFFFAOYSA-N
XLogP2.18
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.18
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

1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide
CID 107920769
N'-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboximidamide
CID 162366396
N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide
CID 107920767
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
CID 107920822
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-5-carboximidamide
CID 107920837
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboximidamide
CID 107917531
N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
CID 107920810
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
CID 171342626
1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide
CID 107917535
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-6-carboximidamide
CID 107917634
N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916071

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide (CID 107920748) is N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide is N/C(=N/O)c1ccc2c(ccn2Cc2ccncc2)c1.
What is the InChIKey of N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide?
The InChIKey is XUTFCUOQIPGDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-15(18-20)13-1-2-14-12(9-13)5-8-19(14)10-11-3-6-17-7-4-11/h1-9,20H,10H2,(H2,16,18).
What are the key properties of N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide?
N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide has a molecular weight of 266.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide is sourced from PubChem (CID 107920748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).