3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one

C16H19N5O2 — CID 126887533

IUPAC3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(NC2CCN(C(=O)c3ccc[nH]c3=O)CC2)ncn1
InChIInChI=1S/C16H19N5O2/c1-11-9-14(19-10-18-11)20-12-4-7-21(8-5-12)16(23)13-3-2-6-17-15(13)22/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyJKGWKUJUXNDLGH-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.19
Rot. Bonds3

About 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one

3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 126887533) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID126887533
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(NC2CCN(C(=O)c3ccc[nH]c3=O)CC2)ncn1
InChIInChI=1S/C16H19N5O2/c1-11-9-14(19-10-18-11)20-12-4-7-21(8-5-12)16(23)13-3-2-6-17-15(13)22/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyJKGWKUJUXNDLGH-UHFFFAOYSA-N
XLogP1.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126888381
6-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887868
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887579
(2-methylpyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887582
[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 126887844
indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887543
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
CID 126887578
(3-methoxy-1-methylpyrazol-4-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887501
3-(4-pyridin-2-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 71798576
(6-methoxy-1H-indol-2-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887511

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 126887533) is 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(NC2CCN(C(=O)c3ccc[nH]c3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is JKGWKUJUXNDLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-9-14(19-10-18-11)20-12-4-7-21(8-5-12)16(23)13-3-2-6-17-15(13)22/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,17,22)(H,18,19,20).
What are the key properties of 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 313.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 126887533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).