3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C17H21N5O2 — CID 91923632

IUPAC3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C17H21N5O2/c23-11-6-17(15(24)21-12-14-4-1-2-7-18-14)5-10-22(13-17)16-19-8-3-9-20-16/h1-4,7-9,23H,5-6,10-13H2,(H,21,24)
InChIKeyVVSKMTBRRMMNDL-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.77
Rot. Bonds6

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

3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 91923632) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID91923632
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C17H21N5O2/c23-11-6-17(15(24)21-12-14-4-1-2-7-18-14)5-10-22(13-17)16-19-8-3-9-20-16/h1-4,7-9,23H,5-6,10-13H2,(H,21,24)
InChIKeyVVSKMTBRRMMNDL-UHFFFAOYSA-N
XLogP0.77
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 91923632) is 3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is O=C(NCc1ccccn1)C1(CCO)CCN(c2ncccn2)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VVSKMTBRRMMNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-11-6-17(15(24)21-12-14-4-1-2-7-18-14)5-10-22(13-17)16-19-8-3-9-20-16/h1-4,7-9,23H,5-6,10-13H2,(H,21,24).
What are the key properties of 3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91923632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).