1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one

C21H21N5O2 — CID 77090822

IUPAC1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one
SMILESCn1cc(C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)ccc1=O
InChIInChI=1S/C21H21N5O2/c1-24-15-17(7-8-19(24)27)20(28)25-11-13-26(14-12-25)21-22-10-9-18(23-21)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyMBHOGHWMFYXJOD-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.80
Rot. Bonds3

About 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one

1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one (PubChem CID 77090822) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one
PubChem CID77090822
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one
SMILESCn1cc(C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)ccc1=O
InChIInChI=1S/C21H21N5O2/c1-24-15-17(7-8-19(24)27)20(28)25-11-13-26(14-12-25)21-22-10-9-18(23-21)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyMBHOGHWMFYXJOD-UHFFFAOYSA-N
XLogP1.80
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one (CID 77090822) is 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one is Cn1cc(C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is MBHOGHWMFYXJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-24-15-17(7-8-19(24)27)20(28)25-11-13-26(14-12-25)21-22-10-9-18(23-21)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one?
1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 375.43 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 77090822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).