N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide

C19H22N4O3 — CID 154803198

IUPACN-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(OC2CCN(C(=O)Cc3cccnc3)C2)ccn1
InChIInChI=1S/C19H22N4O3/c1-14(24)22-12-16-10-17(4-7-21-16)26-18-5-8-23(13-18)19(25)9-15-3-2-6-20-11-15/h2-4,6-7,10-11,18H,5,8-9,12-13H2,1H3,(H,22,24)
InChIKeyMIWKPFRWECNQCG-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.34
Rot. Bonds6

About N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide

N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide (PubChem CID 154803198) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide
PubChem CID154803198
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(OC2CCN(C(=O)Cc3cccnc3)C2)ccn1
InChIInChI=1S/C19H22N4O3/c1-14(24)22-12-16-10-17(4-7-21-16)26-18-5-8-23(13-18)19(25)9-15-3-2-6-20-11-15/h2-4,6-7,10-11,18H,5,8-9,12-13H2,1H3,(H,22,24)
InChIKeyMIWKPFRWECNQCG-UHFFFAOYSA-N
XLogP1.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 154761996
1-cyclopropyl-6-methyl-4-[1-(2-pyridin-3-ylacetyl)azetidin-3-yl]oxypyridin-2-one
CID 91814917
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide (CID 154803198) is N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(OC2CCN(C(=O)Cc3cccnc3)C2)ccn1.
What is the InChIKey of N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide?
The InChIKey is MIWKPFRWECNQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(24)22-12-16-10-17(4-7-21-16)26-18-5-8-23(13-18)19(25)9-15-3-2-6-20-11-15/h2-4,6-7,10-11,18H,5,8-9,12-13H2,1H3,(H,22,24).
What are the key properties of N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide?
N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 154803198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).