4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide

C18H21N3O2 — CID 91813626

IUPAC4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCOC1CCN(c2ccc(C(=O)NCc3ccncc3)cc2)C1
InChIInChI=1S/C18H21N3O2/c1-23-17-8-11-21(13-17)16-4-2-15(3-5-16)18(22)20-12-14-6-9-19-10-7-14/h2-7,9-10,17H,8,11-13H2,1H3,(H,20,22)
InChIKeyVWRYNXIGAQODBE-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.24
Rot. Bonds5

About 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide

4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 91813626) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID91813626
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCOC1CCN(c2ccc(C(=O)NCc3ccncc3)cc2)C1
InChIInChI=1S/C18H21N3O2/c1-23-17-8-11-21(13-17)16-4-2-15(3-5-16)18(22)20-12-14-6-9-19-10-7-14/h2-7,9-10,17H,8,11-13H2,1H3,(H,20,22)
InChIKeyVWRYNXIGAQODBE-UHFFFAOYSA-N
XLogP2.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 91813629
4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 99877599
N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 99874395
4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 99874398
1-[(4-chlorophenyl)methyl]-3-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]urea
CID 97427698
N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 124845202
4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
CID 25299380
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109044877
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098
N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813649
methyl 4-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108763

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide (CID 91813626) is 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide is COC1CCN(c2ccc(C(=O)NCc3ccncc3)cc2)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is VWRYNXIGAQODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-17-8-11-21(13-17)16-4-2-15(3-5-16)18(22)20-12-14-6-9-19-10-7-14/h2-7,9-10,17H,8,11-13H2,1H3,(H,20,22).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide?
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 311.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 91813626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).