N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C16H24N4O2 — CID 91911497

IUPACN-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C16H24N4O2/c21-11-7-16(14(22)19-13-4-1-2-5-13)6-10-20(12-16)15-17-8-3-9-18-15/h3,8-9,13,21H,1-2,4-7,10-12H2,(H,19,22)
InChIKeySBBWLABTMBIFRU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.11
Rot. Bonds5

About N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 91911497) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID91911497
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C16H24N4O2/c21-11-7-16(14(22)19-13-4-1-2-5-13)6-10-20(12-16)15-17-8-3-9-18-15/h3,8-9,13,21H,1-2,4-7,10-12H2,(H,19,22)
InChIKeySBBWLABTMBIFRU-UHFFFAOYSA-N
XLogP1.11
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 91911497) is N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is O=C(NC1CCCC1)C1(CCO)CCN(c2ncccn2)C1.
What is the InChIKey of N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is SBBWLABTMBIFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-11-7-16(14(22)19-13-4-1-2-5-13)6-10-20(12-16)15-17-8-3-9-18-15/h3,8-9,13,21H,1-2,4-7,10-12H2,(H,19,22).
What are the key properties of N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91911497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).