2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde

C27H33ClN6O3 — CID 145019684

IUPAC2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde
SMILESCC1CN(c2ccc(C=O)cc2)CC(C)N1.[H]/N=C(\N)c1ccc(-c2cc(OC)cc(OC)c2Cl)nc1N
InChIInChI=1S/C14H15ClN4O2.C13H18N2O/c1-20-7-5-9(12(15)11(6-7)21-2)10-4-3-8(13(16)17)14(18)19-10;1-10-7-15(8-11(2)14-10)13-5-3-12(9-16)4-6-13/h3-6H,1-2H3,(H3,16,17)(H2,18,19);3-6,9-11,14H,7-8H2,1-2H3
InChIKeyCOZHTQARPULLKT-UHFFFAOYSA-N
MW525.05 g/mol
LogP3.97
Rot. Bonds6

About 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde

2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde (PubChem CID 145019684) has the molecular formula C27H33ClN6O3 and a molecular weight of 525.05 g/mol. Its IUPAC name is 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde
PubChem CID145019684
Molecular FormulaC27H33ClN6O3
Molecular Weight525.05 g/mol
Exact Mass524.23
IUPAC Name2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde
SMILESCC1CN(c2ccc(C=O)cc2)CC(C)N1.[H]/N=C(\N)c1ccc(-c2cc(OC)cc(OC)c2Cl)nc1N
InChIInChI=1S/C14H15ClN4O2.C13H18N2O/c1-20-7-5-9(12(15)11(6-7)21-2)10-4-3-8(13(16)17)14(18)19-10;1-10-7-15(8-11(2)14-10)13-5-3-12(9-16)4-6-13/h3-6H,1-2H3,(H3,16,17)(H2,18,19);3-6,9-11,14H,7-8H2,1-2H3
InChIKeyCOZHTQARPULLKT-UHFFFAOYSA-N
XLogP3.97
TPSA139.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.05
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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'}

Analyze 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde 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

2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde
CID 145019693
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81302635
4-(3,4-dimethylpyrrolidin-1-yl)benzaldehyde
CID 79189106
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide
CID 126822232
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]phenyl]ethyl]-2H-indazole
CID 141465396
5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
CID 155394926
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444532

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde?
The IUPAC name of 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde (CID 145019684) is 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde.
What is the SMILES notation for 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde?
The canonical SMILES for 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde is CC1CN(c2ccc(C=O)cc2)CC(C)N1.[H]/N=C(\N)c1ccc(-c2cc(OC)cc(OC)c2Cl)nc1N.
What is the InChIKey of 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde?
The InChIKey is COZHTQARPULLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2.C13H18N2O/c1-20-7-5-9(12(15)11(6-7)21-2)10-4-3-8(13(16)17)14(18)19-10;1-10-7-15(8-11(2)14-10)13-5-3-12(9-16)4-6-13/h3-6H,1-2H3,(H3,16,17)(H2,18,19);3-6,9-11,14H,7-8H2,1-2H3.
What are the key properties of 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde?
2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde has a molecular weight of 525.05 g/mol, XLogP of 3.97, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde is sourced from PubChem (CID 145019684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).