N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide

C20H23N5O2 — CID 129044968

IUPACN-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide
SMILESCC(=O)N(Cc1cc(Oc2ccc3c(ccn3C)c2)ncn1)C1CCNC1
InChIInChI=1S/C20H23N5O2/c1-14(26)25(17-5-7-21-11-17)12-16-10-20(23-13-22-16)27-18-3-4-19-15(9-18)6-8-24(19)2/h3-4,6,8-10,13,17,21H,5,7,11-12H2,1-2H3
InChIKeyAULWUAHXWNBPFR-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.47
Rot. Bonds5

About N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide

N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide (PubChem CID 129044968) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide
PubChem CID129044968
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide
SMILESCC(=O)N(Cc1cc(Oc2ccc3c(ccn3C)c2)ncn1)C1CCNC1
InChIInChI=1S/C20H23N5O2/c1-14(26)25(17-5-7-21-11-17)12-16-10-20(23-13-22-16)27-18-3-4-19-15(9-18)6-8-24(19)2/h3-4,6,8-10,13,17,21H,5,7,11-12H2,1-2H3
InChIKeyAULWUAHXWNBPFR-UHFFFAOYSA-N
XLogP2.47
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide (CID 129044968) is N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide is CC(=O)N(Cc1cc(Oc2ccc3c(ccn3C)c2)ncn1)C1CCNC1.
What is the InChIKey of N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide?
The InChIKey is AULWUAHXWNBPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(26)25(17-5-7-21-11-17)12-16-10-20(23-13-22-16)27-18-3-4-19-15(9-18)6-8-24(19)2/h3-4,6,8-10,13,17,21H,5,7,11-12H2,1-2H3.
What are the key properties of N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide?
N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide has a molecular weight of 365.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 129044968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).