[6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C20H25N5O2 — CID 56904349

IUPAC[6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(CO)n1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C20H25N5O2/c26-13-16-4-3-5-17(23-16)20(27)25-10-6-15(7-11-25)18-12-19(22-14-21-18)24-8-1-2-9-24/h3-5,12,14-15,26H,1-2,6-11,13H2
InChIKeyQAULTYRYQBZZSD-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.98
Rot. Bonds4

About [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

[6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 56904349) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID56904349
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(CO)n1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C20H25N5O2/c26-13-16-4-3-5-17(23-16)20(27)25-10-6-15(7-11-25)18-12-19(22-14-21-18)24-8-1-2-9-24/h3-5,12,14-15,26H,1-2,6-11,13H2
InChIKeyQAULTYRYQBZZSD-UHFFFAOYSA-N
XLogP1.98
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 56904349) is [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(c1cccc(CO)n1)N1CCC(c2cc(N3CCCC3)ncn2)CC1.
What is the InChIKey of [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is QAULTYRYQBZZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-13-16-4-3-5-17(23-16)20(27)25-10-6-15(7-11-25)18-12-19(22-14-21-18)24-8-1-2-9-24/h3-5,12,14-15,26H,1-2,6-11,13H2.
What are the key properties of [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
[6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2-pyridinyl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56904349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).