2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide

C22H24N4O3 — CID 113013518

IUPAC2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N(C)CCc2ccncc2)nc1
InChIInChI=1S/C22H24N4O3/c1-26(14-11-16-9-12-23-13-10-16)20-8-7-17(15-24-20)25-22(27)21-18(28-2)5-4-6-19(21)29-3/h4-10,12-13,15H,11,14H2,1-3H3,(H,25,27)
InChIKeyRBVUBSKMQQIDAL-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.42
Rot. Bonds8

About 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide

2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide (PubChem CID 113013518) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
PubChem CID113013518
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N(C)CCc2ccncc2)nc1
InChIInChI=1S/C22H24N4O3/c1-26(14-11-16-9-12-23-13-10-16)20-8-7-17(15-24-20)25-22(27)21-18(28-2)5-4-6-19(21)29-3/h4-10,12-13,15H,11,14H2,1-3H3,(H,25,27)
InChIKeyRBVUBSKMQQIDAL-UHFFFAOYSA-N
XLogP3.42
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]pyridine-3-carboxamide
CID 113013535
3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013512
N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109158806
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164
N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113013536
1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea
CID 113013548
N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285128
N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260720
N-(2-methoxyphenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372292
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
N-(2-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159133

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide (CID 113013518) is 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(N(C)CCc2ccncc2)nc1.
What is the InChIKey of 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide?
The InChIKey is RBVUBSKMQQIDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-26(14-11-16-9-12-23-13-10-16)20-8-7-17(15-24-20)25-22(27)21-18(28-2)5-4-6-19(21)29-3/h4-10,12-13,15H,11,14H2,1-3H3,(H,25,27).
What are the key properties of 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide?
2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113013518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).