N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide

C21H21N3O3 — CID 113011445

IUPACN-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCc3ccccc3)nc2)c1
InChIInChI=1S/C21H21N3O3/c1-26-18-10-16(11-19(12-18)27-2)21(25)24-17-8-9-20(23-14-17)22-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyVSINJIJIOLGNHU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.96
Rot. Bonds7

About N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide

N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide (PubChem CID 113011445) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
PubChem CID113011445
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCc3ccccc3)nc2)c1
InChIInChI=1S/C21H21N3O3/c1-26-18-10-16(11-19(12-18)27-2)21(25)24-17-8-9-20(23-14-17)22-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyVSINJIJIOLGNHU-UHFFFAOYSA-N
XLogP3.96
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009330
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113012586
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide (CID 113011445) is N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NCc3ccccc3)nc2)c1.
What is the InChIKey of N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide?
The InChIKey is VSINJIJIOLGNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-18-10-16(11-19(12-18)27-2)21(25)24-17-8-9-20(23-14-17)22-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide?
N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide has a molecular weight of 363.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113011445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).