N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide

C21H20ClN3O3 — CID 113027190

IUPACN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3ccccc3Cl)cn2)cc1OC
InChIInChI=1S/C21H20ClN3O3/c1-27-18-9-7-14(11-19(18)28-2)21(26)25-20-10-8-16(13-24-20)23-12-15-5-3-4-6-17(15)22/h3-11,13,23H,12H2,1-2H3,(H,24,25,26)
InChIKeyJSORSHYACCSBEU-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.62
Rot. Bonds7

About N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide

N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide (PubChem CID 113027190) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
PubChem CID113027190
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3ccccc3Cl)cn2)cc1OC
InChIInChI=1S/C21H20ClN3O3/c1-27-18-9-7-14(11-19(18)28-2)21(26)25-20-10-8-16(13-24-20)23-12-15-5-3-4-6-17(15)22/h3-11,13,23H,12H2,1-2H3,(H,24,25,26)
InChIKeyJSORSHYACCSBEU-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-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113027186
2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170837
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026605
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109156807
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012213
2-amino-N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]acetamide
CID 39178469
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide (CID 113027190) is N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(NCc3ccccc3Cl)cn2)cc1OC.
What is the InChIKey of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide?
The InChIKey is JSORSHYACCSBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-18-9-7-14(11-19(18)28-2)21(26)25-20-10-8-16(13-24-20)23-12-15-5-3-4-6-17(15)22/h3-11,13,23H,12H2,1-2H3,(H,24,25,26).
What are the key properties of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide?
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide 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 N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113027190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).