N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide

C17H21ClN4O2 — CID 109167847

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCN(C)C)c2)cc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-22(2)9-8-20-16-10-12(6-7-19-16)17(23)21-13-4-5-15(24-3)14(18)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyBDRWQXPURMRMIC-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.97
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide (PubChem CID 109167847) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
PubChem CID109167847
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCN(C)C)c2)cc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-22(2)9-8-20-16-10-12(6-7-19-16)17(23)21-13-4-5-15(24-3)14(18)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyBDRWQXPURMRMIC-UHFFFAOYSA-N
XLogP2.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
CID 109083492
N-(3-chloro-4-methoxyphenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169710
methyl 3-[[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]amino]benzoate
CID 109167870
3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053219
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
N-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167896
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344173
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide (CID 109167847) is N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NCCN(C)C)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide?
The InChIKey is BDRWQXPURMRMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-22(2)9-8-20-16-10-12(6-7-19-16)17(23)21-13-4-5-15(24-3)14(18)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109167847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).