2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane

C18H25ClN4O3 — CID 142329881

IUPAC2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane
SMILESCC.CNC(=O)c1c(Nc2ccc(COC)cc2OC)cc(Cl)nc1N
InChIInChI=1S/C16H19ClN4O3.C2H6/c1-19-16(22)14-11(7-13(17)21-15(14)18)20-10-5-4-9(8-23-2)6-12(10)24-3;1-2/h4-7H,8H2,1-3H3,(H,19,22)(H3,18,20,21);1-2H3
InChIKeyUIFFYYJQZZTBGA-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.60
Rot. Bonds6

About 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane

2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane (PubChem CID 142329881) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane
PubChem CID142329881
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane
SMILESCC.CNC(=O)c1c(Nc2ccc(COC)cc2OC)cc(Cl)nc1N
InChIInChI=1S/C16H19ClN4O3.C2H6/c1-19-16(22)14-11(7-13(17)21-15(14)18)20-10-5-4-9(8-23-2)6-12(10)24-3;1-2/h4-7H,8H2,1-3H3,(H,19,22)(H3,18,20,21);1-2H3
InChIKeyUIFFYYJQZZTBGA-UHFFFAOYSA-N
XLogP3.60
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane 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-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 166647430
(4-acetamido-3-methoxyphenyl)methyl N-ethanethioylcarbamate
CID 58894087
2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid
CID 90153691
2-chloro-8-N-[5-(methoxymethyl)-2-methylphenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 90724618
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
CID 87637876
2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline
CID 174335171
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
4-[(3-amino-6-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847887
ethane;2-methoxy-N-methyl-4-propylaniline
CID 156712909
2-[(3,4-dichlorophenyl)methoxy]-N-methylbenzamide
CID 13073632

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane?
The IUPAC name of 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane (CID 142329881) is 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane.
What is the SMILES notation for 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane?
The canonical SMILES for 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane is CC.CNC(=O)c1c(Nc2ccc(COC)cc2OC)cc(Cl)nc1N.
What is the InChIKey of 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane?
The InChIKey is UIFFYYJQZZTBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3.C2H6/c1-19-16(22)14-11(7-13(17)21-15(14)18)20-10-5-4-9(8-23-2)6-12(10)24-3;1-2/h4-7H,8H2,1-3H3,(H,19,22)(H3,18,20,21);1-2H3.
What are the key properties of 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane?
2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane has a molecular weight of 380.88 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane is sourced from PubChem (CID 142329881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).