3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide

C21H26N4O4 — CID 38529032

IUPAC3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)nc2)cc1OC
InChIInChI=1S/C21H26N4O4/c1-28-17-7-6-16(11-18(17)29-2)21(27)24-14-20(26)23-13-15-5-8-19(22-12-15)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKKKDRGZWTPAYKA-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.75
Rot. Bonds8

About 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide

3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide (PubChem CID 38529032) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
PubChem CID38529032
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)nc2)cc1OC
InChIInChI=1S/C21H26N4O4/c1-28-17-7-6-16(11-18(17)29-2)21(27)24-14-20(26)23-13-15-5-8-19(22-12-15)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKKKDRGZWTPAYKA-UHFFFAOYSA-N
XLogP1.75
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 55794671
3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 55844557
N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111201127
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide (CID 38529032) is 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide is COc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)nc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide?
The InChIKey is KKKDRGZWTPAYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-17-7-6-16(11-18(17)29-2)21(27)24-14-20(26)23-13-15-5-8-19(22-12-15)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide?
3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 38529032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).