(3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C18H29N5O2 — CID 164629589

IUPAC(3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)[C@@]1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C18H29N5O2/c24-14-6-18(5-12-23(15-18)17-20-7-4-8-21-17)16(25)19-9-13-22-10-2-1-3-11-22/h4,7-8,24H,1-3,5-6,9-15H2,(H,19,25)/t18-/m1/s1
InChIKeyIWRDLVNNZAQNLW-GOSISDBHSA-N
MW347.46 g/mol
LogP0.66
Rot. Bonds7

About (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

(3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 164629589) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID164629589
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)[C@@]1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C18H29N5O2/c24-14-6-18(5-12-23(15-18)17-20-7-4-8-21-17)16(25)19-9-13-22-10-2-1-3-11-22/h4,7-8,24H,1-3,5-6,9-15H2,(H,19,25)/t18-/m1/s1
InChIKeyIWRDLVNNZAQNLW-GOSISDBHSA-N
XLogP0.66
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 164629589) is (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is O=C(NCCN1CCCCC1)[C@@]1(CCO)CCN(c2ncccn2)C1.
What is the InChIKey of (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IWRDLVNNZAQNLW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-14-6-18(5-12-23(15-18)17-20-7-4-8-21-17)16(25)19-9-13-22-10-2-1-3-11-22/h4,7-8,24H,1-3,5-6,9-15H2,(H,19,25)/t18-/m1/s1.
What are the key properties of (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
(3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164629589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).