6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one

C17H21N5O2 — CID 126889556

IUPAC6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(N(C)C2CCN(C(=O)c3cccc(=O)[nH]3)CC2)ncn1
InChIInChI=1S/C17H21N5O2/c1-12-10-15(19-11-18-12)21(2)13-6-8-22(9-7-13)17(24)14-4-3-5-16(23)20-14/h3-5,10-11,13H,6-9H2,1-2H3,(H,20,23)
InChIKeyFQROJCQKBWQGRA-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.21
Rot. Bonds3

About 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one

6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 126889556) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID126889556
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(N(C)C2CCN(C(=O)c3cccc(=O)[nH]3)CC2)ncn1
InChIInChI=1S/C17H21N5O2/c1-12-10-15(19-11-18-12)21(2)13-6-8-22(9-7-13)17(24)14-4-3-5-16(23)20-14/h3-5,10-11,13H,6-9H2,1-2H3,(H,20,23)
InChIKeyFQROJCQKBWQGRA-UHFFFAOYSA-N
XLogP1.21
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 126889556) is 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(N(C)C2CCN(C(=O)c3cccc(=O)[nH]3)CC2)ncn1.
What is the InChIKey of 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is FQROJCQKBWQGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-10-15(19-11-18-12)21(2)13-6-8-22(9-7-13)17(24)14-4-3-5-16(23)20-14/h3-5,10-11,13H,6-9H2,1-2H3,(H,20,23).
What are the key properties of 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 327.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 126889556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).