4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

C22H26ClN3O3 — CID 143111247

IUPAC4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESCOCCOc1ccc(C2C=C(c3cc(Cl)ccc3N(C)N)CCN2C=O)cc1
InChIInChI=1S/C22H26ClN3O3/c1-25(24)21-8-5-18(23)14-20(21)17-9-10-26(15-27)22(13-17)16-3-6-19(7-4-16)29-12-11-28-2/h3-8,13-15,22H,9-12,24H2,1-2H3
InChIKeyMQFZYQBNGITGMT-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.66
Rot. Bonds8

About 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 143111247) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID143111247
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESCOCCOc1ccc(C2C=C(c3cc(Cl)ccc3N(C)N)CCN2C=O)cc1
InChIInChI=1S/C22H26ClN3O3/c1-25(24)21-8-5-18(23)14-20(21)17-9-10-26(15-27)22(13-17)16-3-6-19(7-4-16)29-12-11-28-2/h3-8,13-15,22H,9-12,24H2,1-2H3
InChIKeyMQFZYQBNGITGMT-UHFFFAOYSA-N
XLogP3.66
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-5-chlorophenyl)-6-[4-[3-(dimethylamino)propoxy]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 143111655
4-(2-amino-5-chlorophenyl)-6-[4-(2,3-dihydroxypropoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 143536008
4-(2-amino-5-chlorophenyl)-6-(3-formylphenyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde;1-ethyl-4-methylpiperazine;methoxyethane
CID 143535874
propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 143312591
6-chloro-1-[4-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbaldehyde;1,2-dimethoxyethane
CID 143111506
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
5-chloro-2-[cyclopropyl(2-methoxyethyl)amino]benzoic acid
CID 55139261
propyl 5-(2-amino-5-chlorophenyl)-7-(4-methylphenyl)-2,3,4,7-tetrahydroazepine-1-carboxylate
CID 143312650
(3E,6Z)-4-[4-[5-chloro-2-(methylamino)phenyl]-1-formyl-3,6-dihydro-2H-pyridin-6-yl]-N,N,2-trimethylocta-3,6-dienamide;ethane;methoxyethane
CID 143312612
2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831
5-chloro-2-[3-methoxypropyl(methyl)amino]benzoic acid
CID 63007718
2-[4-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)phenoxy]ethanamine;(4-chlorophenyl) formate;2H-thiazete
CID 145496308

Frequently Asked Questions

What is the IUPAC name of 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 143111247) is 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is COCCOc1ccc(C2C=C(c3cc(Cl)ccc3N(C)N)CCN2C=O)cc1.
What is the InChIKey of 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is MQFZYQBNGITGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-25(24)21-8-5-18(23)14-20(21)17-9-10-26(15-27)22(13-17)16-3-6-19(7-4-16)29-12-11-28-2/h3-8,13-15,22H,9-12,24H2,1-2H3.
What are the key properties of 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 415.92 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 143111247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).