2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C18H21F2N5O2 — CID 167954025

IUPAC2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCN(C(=O)C(F)(F)c1ccc(=O)n(C)c1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21F2N5O2/c1-23-12-13(4-5-15(23)26)18(19,20)16(27)24(2)14-6-10-25(11-7-14)17-21-8-3-9-22-17/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKeyCQMXHVMPCOCBKO-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.39
Rot. Bonds4

About 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 167954025) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID167954025
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCN(C(=O)C(F)(F)c1ccc(=O)n(C)c1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21F2N5O2/c1-23-12-13(4-5-15(23)26)18(19,20)16(27)24(2)14-6-10-25(11-7-14)17-21-8-3-9-22-17/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKeyCQMXHVMPCOCBKO-UHFFFAOYSA-N
XLogP1.39
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide with MolForge

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Related Compounds

US11591331, Example 106
CID 167845036
1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-((4-(2-pyrimidinyl)-1-piperazinyl)methyl)-
CID 3073574
1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
CID 3073575
1-Methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one
CID 35560020
1-methyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 45824515
1-Methyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one
CID 53517027
2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71894291
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 72059976
1-(Cyclopropylmethyl)-7-pyrimidin-2-yl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466834
US20240351997, Example 37
CID 167442762
US20240351997, Example 42
CID 167442867
US20240351997, Example 115
CID 167442915

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 167954025) is 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is CN(C(=O)C(F)(F)c1ccc(=O)n(C)c1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is CQMXHVMPCOCBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-23-12-13(4-5-15(23)26)18(19,20)16(27)24(2)14-6-10-25(11-7-14)17-21-8-3-9-22-17/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-2-(1-methyl-6-oxo-3-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 167954025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).