5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide

C21H20ClN3O3 — CID 109231933

IUPAC5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(NCc3ccccc3)c2)c(OC)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-27-19-10-18(20(28-2)9-17(19)22)25-21(26)15-8-16(13-23-12-15)24-11-14-6-4-3-5-7-14/h3-10,12-13,24H,11H2,1-2H3,(H,25,26)
InChIKeyWHUQQYIPYGKAIE-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.62
Rot. Bonds7

About 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide

5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109231933) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID109231933
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(NCc3ccccc3)c2)c(OC)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-27-19-10-18(20(28-2)9-17(19)22)25-21(26)15-8-16(13-23-12-15)24-11-14-6-4-3-5-7-14/h3-10,12-13,24H,11H2,1-2H3,(H,25,26)
InChIKeyWHUQQYIPYGKAIE-UHFFFAOYSA-N
XLogP4.62
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231618
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109234136
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
5-(benzylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109231930
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885
5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235620
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235436
N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234541
N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234331

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide (CID 109231933) is 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cncc(NCc3ccccc3)c2)c(OC)cc1Cl.
What is the InChIKey of 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is WHUQQYIPYGKAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-19-10-18(20(28-2)9-17(19)22)25-21(26)15-8-16(13-23-12-15)24-11-14-6-4-3-5-7-14/h3-10,12-13,24H,11H2,1-2H3,(H,25,26).
What are the key properties of 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109231933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).