5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine

C24H24N4O — CID 90058459

IUPAC5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine
SMILESC#CCN1CCC(c2nc(-c3ccncc3)ncc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C24H24N4O/c1-3-13-28-14-9-18(10-15-28)23-22(20-5-4-6-21(16-20)29-2)17-26-24(27-23)19-7-11-25-12-8-19/h1,4-8,11-12,16-18H,9-10,13-15H2,2H3
InChIKeyRCGWINPQRISTLP-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.03
Rot. Bonds5

About 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine

5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine (PubChem CID 90058459) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine
PubChem CID90058459
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine
SMILESC#CCN1CCC(c2nc(-c3ccncc3)ncc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C24H24N4O/c1-3-13-28-14-9-18(10-15-28)23-22(20-5-4-6-21(16-20)29-2)17-26-24(27-23)19-7-11-25-12-8-19/h1,4-8,11-12,16-18H,9-10,13-15H2,2H3
InChIKeyRCGWINPQRISTLP-UHFFFAOYSA-N
XLogP4.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine (CID 90058459) is 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine is C#CCN1CCC(c2nc(-c3ccncc3)ncc2-c2cccc(OC)c2)CC1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine?
The InChIKey is RCGWINPQRISTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-3-13-28-14-9-18(10-15-28)23-22(20-5-4-6-21(16-20)29-2)17-26-24(27-23)19-7-11-25-12-8-19/h1,4-8,11-12,16-18H,9-10,13-15H2,2H3.
What are the key properties of 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine?
5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine has a molecular weight of 384.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-(1-prop-2-ynylpiperidin-4-yl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 90058459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).