4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide

C14H15ClN4O2 — CID 136687951

IUPAC4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCOc1cc(NCc2ccnc(/C(N)=N/O)c2)ccc1Cl
InChIInChI=1S/C14H15ClN4O2/c1-21-13-7-10(2-3-11(13)15)18-8-9-4-5-17-12(6-9)14(16)19-20/h2-7,18,20H,8H2,1H3,(H2,16,19)
InChIKeyDIXAZIVFBWXFOL-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.45
Rot. Bonds5

About 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide

4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136687951) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136687951
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCOc1cc(NCc2ccnc(/C(N)=N/O)c2)ccc1Cl
InChIInChI=1S/C14H15ClN4O2/c1-21-13-7-10(2-3-11(13)15)18-8-9-4-5-17-12(6-9)14(16)19-20/h2-7,18,20H,8H2,1H3,(H2,16,19)
InChIKeyDIXAZIVFBWXFOL-UHFFFAOYSA-N
XLogP2.45
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.45
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-[(4-bromo-3-chloroanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136852795
3-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136687950
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide
CID 136759655
4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136869301
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136687951) is 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide is COc1cc(NCc2ccnc(/C(N)=N/O)c2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is DIXAZIVFBWXFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-21-13-7-10(2-3-11(13)15)18-8-9-4-5-17-12(6-9)14(16)19-20/h2-7,18,20H,8H2,1H3,(H2,16,19).
What are the key properties of 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide?
4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 306.75 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136687951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).