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

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Related Compounds

CID 44467497
CID 44467497
CID 46943464
CID 46943464
CID 24790125
CID 24790125
CID 24790546
CID 24790546
CID 24817524
CID 24817524
CID 90643557
CID 90643557
CID 155555041
CID 155555041
CID 49791408
CID 49791408
CID 117711016
CID 117711016
CID 156455436
CID 156455436
CID 24790180
CID 24790180
CID 110198985
CID 110198985

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).