2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde

C21H21Cl2N5O3 — CID 145019693

IUPAC2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde
SMILESC/N=C(\N)c1ccc(-c2c(Cl)c(OC)cc(OC)c2Cl)nc1N.O=Cc1ccncc1
InChIInChI=1S/C15H16Cl2N4O2.C6H5NO/c1-20-14(18)7-4-5-8(21-15(7)19)11-12(16)9(22-2)6-10(23-3)13(11)17;8-5-6-1-3-7-4-2-6/h4-6H,1-3H3,(H2,18,20)(H2,19,21);1-5H
InChIKeyWEJOMHVHLHJDOV-UHFFFAOYSA-N
MW462.34 g/mol
LogP3.88
Rot. Bonds5

About 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde

2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde (PubChem CID 145019693) has the molecular formula C21H21Cl2N5O3 and a molecular weight of 462.34 g/mol. Its IUPAC name is 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde
PubChem CID145019693
Molecular FormulaC21H21Cl2N5O3
Molecular Weight462.34 g/mol
Exact Mass461.10
IUPAC Name2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde
SMILESC/N=C(\N)c1ccc(-c2c(Cl)c(OC)cc(OC)c2Cl)nc1N.O=Cc1ccncc1
InChIInChI=1S/C15H16Cl2N4O2.C6H5NO/c1-20-14(18)7-4-5-8(21-15(7)19)11-12(16)9(22-2)6-10(23-3)13(11)17;8-5-6-1-3-7-4-2-6/h4-6H,1-3H3,(H2,18,20)(H2,19,21);1-5H
InChIKeyWEJOMHVHLHJDOV-UHFFFAOYSA-N
XLogP3.88
TPSA125.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide
CID 116827831
6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine
CID 166774545
2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde
CID 145019684
2-amino-4-(2,6-difluoro-3,5-dimethoxyphenyl)-N'-methylbenzenecarboximidamide;4-(4-methylpiperazin-1-yl)benzaldehyde
CID 145019713
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
CID 135179885
5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455938
4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
CID 157022258
propane;pyridine-4-carbaldehyde
CID 144763024
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 145192708

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde?
The IUPAC name of 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde (CID 145019693) is 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde.
What is the SMILES notation for 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde?
The canonical SMILES for 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde is C/N=C(\N)c1ccc(-c2c(Cl)c(OC)cc(OC)c2Cl)nc1N.O=Cc1ccncc1.
What is the InChIKey of 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde?
The InChIKey is WEJOMHVHLHJDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2.C6H5NO/c1-20-14(18)7-4-5-8(21-15(7)19)11-12(16)9(22-2)6-10(23-3)13(11)17;8-5-6-1-3-7-4-2-6/h4-6H,1-3H3,(H2,18,20)(H2,19,21);1-5H.
What are the key properties of 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde?
2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde has a molecular weight of 462.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde is sourced from PubChem (CID 145019693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).