N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide

C18H27N5O2 — CID 53185867

IUPACN-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C18H27N5O2/c24-18(21-14-5-1-2-6-14)23-10-7-15(12-23)25-17-11-16(19-13-20-17)22-8-3-4-9-22/h11,13-15H,1-10,12H2,(H,21,24)
InChIKeyFYODFOFPGPTIGQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.18
Rot. Bonds4

About N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide

N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide (PubChem CID 53185867) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
PubChem CID53185867
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C18H27N5O2/c24-18(21-14-5-1-2-6-14)23-10-7-15(12-23)25-17-11-16(19-13-20-17)22-8-3-4-9-22/h11,13-15H,1-10,12H2,(H,21,24)
InChIKeyFYODFOFPGPTIGQ-UHFFFAOYSA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 95108044
[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95108089
(6-methyl-3-pyridinyl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185855
[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 71836800
N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638486
(1-ethylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185864
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108110
(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483665
4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024721
N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638058

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide (CID 53185867) is N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide is O=C(NC1CCCC1)N1CCC(Oc2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is FYODFOFPGPTIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-18(21-14-5-1-2-6-14)23-10-7-15(12-23)25-17-11-16(19-13-20-17)22-8-3-4-9-22/h11,13-15H,1-10,12H2,(H,21,24).
What are the key properties of N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 53185867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).