N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide

C17H20ClN3O2 — CID 109205952

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
SMILESCOCCNc1ccnc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-8-12(2)16(14(18)9-11)21-17(22)15-10-13(4-5-20-15)19-6-7-23-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyCJUMEASZGOYNAZ-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.66
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide (PubChem CID 109205952) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
PubChem CID109205952
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
SMILESCOCCNc1ccnc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-8-12(2)16(14(18)9-11)21-17(22)15-10-13(4-5-20-15)19-6-7-23-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyCJUMEASZGOYNAZ-UHFFFAOYSA-N
XLogP3.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300081
N-(4-acetamidophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205974
N-(2,4-dichlorophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109206008
N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204288
2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109299699
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216786
4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109221343
N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206310

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide (CID 109205952) is N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide is COCCNc1ccnc(C(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide?
The InChIKey is CJUMEASZGOYNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-8-12(2)16(14(18)9-11)21-17(22)15-10-13(4-5-20-15)19-6-7-23-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109205952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).