1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide

C16H23N3O2 — CID 119533221

IUPAC1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
SMILESCCCN(C(=O)c1cccc(C(=O)NC)c1)C1CCNC1
InChIInChI=1S/C16H23N3O2/c1-3-9-19(14-7-8-18-11-14)16(21)13-6-4-5-12(10-13)15(20)17-2/h4-6,10,14,18H,3,7-9,11H2,1-2H3,(H,17,20)
InChIKeyBXEKGMYONNIJRX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.26
Rot. Bonds5

About 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide

1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide (PubChem CID 119533221) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
PubChem CID119533221
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
SMILESCCCN(C(=O)c1cccc(C(=O)NC)c1)C1CCNC1
InChIInChI=1S/C16H23N3O2/c1-3-9-19(14-7-8-18-11-14)16(21)13-6-4-5-12(10-13)15(20)17-2/h4-6,10,14,18H,3,7-9,11H2,1-2H3,(H,17,20)
InChIKeyBXEKGMYONNIJRX-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 119530413
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532470
3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532378
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
CID 119531080

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide (CID 119533221) is 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide is CCCN(C(=O)c1cccc(C(=O)NC)c1)C1CCNC1.
What is the InChIKey of 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
The InChIKey is BXEKGMYONNIJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-9-19(14-7-8-18-11-14)16(21)13-6-4-5-12(10-13)15(20)17-2/h4-6,10,14,18H,3,7-9,11H2,1-2H3,(H,17,20).
What are the key properties of 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide?
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119533221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).