N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide

C20H23N3O3 — CID 78082924

IUPACN-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(C2CN(C(=O)c3cnccc3C)CC2NC(C)=O)cc1
InChIInChI=1S/C20H23N3O3/c1-13-8-9-21-10-17(13)20(25)23-11-18(19(12-23)22-14(2)24)15-4-6-16(26-3)7-5-15/h4-10,18-19H,11-12H2,1-3H3,(H,22,24)
InChIKeyACVUZCNINRMZJQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.14
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide

N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 78082924) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID78082924
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(C2CN(C(=O)c3cnccc3C)CC2NC(C)=O)cc1
InChIInChI=1S/C20H23N3O3/c1-13-8-9-21-10-17(13)20(25)23-11-18(19(12-23)22-14(2)24)15-4-6-16(26-3)7-5-15/h4-10,18-19H,11-12H2,1-3H3,(H,22,24)
InChIKeyACVUZCNINRMZJQ-UHFFFAOYSA-N
XLogP2.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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6-[(3-Cyclopentyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methyl-3-pyridinecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide (CID 78082924) is N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide is COc1ccc(C2CN(C(=O)c3cnccc3C)CC2NC(C)=O)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is ACVUZCNINRMZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-9-21-10-17(13)20(25)23-11-18(19(12-23)22-14(2)24)15-4-6-16(26-3)7-5-15/h4-10,18-19H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide?
N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 78082924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).