N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide

C24H27N3O6 — CID 110179316

IUPACN-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cn2)c(OC)c1
InChIInChI=1S/C24H27N3O6/c1-29-18-8-6-15(19(12-18)30-2)13-25-22-9-7-17(14-26-22)27-24(28)16-10-20(31-3)23(33-5)21(11-16)32-4/h6-12,14H,13H2,1-5H3,(H,25,26)(H,27,28)
InChIKeyWQXXSJDRYPBKIZ-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.99
Rot. Bonds10

About N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide

N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide (PubChem CID 110179316) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
PubChem CID110179316
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC NameN-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cn2)c(OC)c1
InChIInChI=1S/C24H27N3O6/c1-29-18-8-6-15(19(12-18)30-2)13-25-22-9-7-17(14-26-22)27-24(28)16-10-20(31-3)23(33-5)21(11-16)32-4/h6-12,14H,13H2,1-5H3,(H,25,26)(H,27,28)
InChIKeyWQXXSJDRYPBKIZ-UHFFFAOYSA-N
XLogP3.99
TPSA100.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide
CID 110179389
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113011445
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581
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
N-[4-(dimethylamino)phenyl]-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157116
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide (CID 110179316) is N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide is COc1ccc(CNc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cn2)c(OC)c1.
What is the InChIKey of N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The InChIKey is WQXXSJDRYPBKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-29-18-8-6-15(19(12-18)30-2)13-25-22-9-7-17(14-26-22)27-24(28)16-10-20(31-3)23(33-5)21(11-16)32-4/h6-12,14H,13H2,1-5H3,(H,25,26)(H,27,28).
What are the key properties of N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide has a molecular weight of 453.50 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 110179316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).