N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide

C19H22F2N6O2 — CID 162721730

IUPACN-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCC(F)(F)CN1C(=O)c1nc(Nc2ccncn2)ccc1C
InChIInChI=1S/C19H22F2N6O2/c1-12-3-4-16(25-15-6-8-22-11-24-15)26-17(12)18(29)27-10-19(20,21)7-5-14(27)9-23-13(2)28/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,23,28)(H,22,24,25,26)/t14-/m1/s1
InChIKeyGVQQYANDSMCILL-CQSZACIVSA-N
MW404.42 g/mol
LogP2.30
Rot. Bonds5

About N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide

N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide (PubChem CID 162721730) has the molecular formula C19H22F2N6O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide
PubChem CID162721730
Molecular FormulaC19H22F2N6O2
Molecular Weight404.42 g/mol
Exact Mass404.18
IUPAC NameN-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCC(F)(F)CN1C(=O)c1nc(Nc2ccncn2)ccc1C
InChIInChI=1S/C19H22F2N6O2/c1-12-3-4-16(25-15-6-8-22-11-24-15)26-17(12)18(29)27-10-19(20,21)7-5-14(27)9-23-13(2)28/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,23,28)(H,22,24,25,26)/t14-/m1/s1
InChIKeyGVQQYANDSMCILL-CQSZACIVSA-N
XLogP2.30
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide (CID 162721730) is N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1CCC(F)(F)CN1C(=O)c1nc(Nc2ccncn2)ccc1C.
What is the InChIKey of N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide?
The InChIKey is GVQQYANDSMCILL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22F2N6O2/c1-12-3-4-16(25-15-6-8-22-11-24-15)26-17(12)18(29)27-10-19(20,21)7-5-14(27)9-23-13(2)28/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,23,28)(H,22,24,25,26)/t14-/m1/s1.
What are the key properties of N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide?
N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide has a molecular weight of 404.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5,5-difluoro-1-[3-methyl-6-(pyrimidin-4-ylamino)pyridine-2-carbonyl]piperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 162721730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).