N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

C19H24N4O4 — CID 55638323

IUPACN-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2ccc(N(C)C)nc2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-23(2)17-8-5-13(10-20-17)11-21-18(24)12-22-19(25)14-6-7-15(26-3)16(9-14)27-4/h5-10H,11-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyOXYHFPHLNAYOTF-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.21
Rot. Bonds8

About N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 55638323) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID55638323
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2ccc(N(C)C)nc2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-23(2)17-8-5-13(10-20-17)11-21-18(24)12-22-19(25)14-6-7-15(26-3)16(9-14)27-4/h5-10H,11-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyOXYHFPHLNAYOTF-UHFFFAOYSA-N
XLogP1.21
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 55844557
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829
3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 38529032
4-(difluoromethoxy)-N-[2-[[2-(dimethylamino)-4-pyridinyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55637064
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 55621111
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17441184
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
3,4-dimethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylamino]ethyl]benzamide
CID 55694149

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 55638323) is N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)NCc2ccc(N(C)C)nc2)cc1OC.
What is the InChIKey of N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is OXYHFPHLNAYOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-23(2)17-8-5-13(10-20-17)11-21-18(24)12-22-19(25)14-6-7-15(26-3)16(9-14)27-4/h5-10H,11-12H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 372.43 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 55638323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).