N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide

C16H14F3N5O2 — CID 171496897

IUPACN-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESC[C@H](NC(=O)CN1Cc2cc(F)cnc2NC1=O)c1ncc(F)cc1F
InChIInChI=1S/C16H14F3N5O2/c1-8(14-12(19)3-11(18)4-20-14)22-13(25)7-24-6-9-2-10(17)5-21-15(9)23-16(24)26/h2-5,8H,6-7H2,1H3,(H,22,25)(H,21,23,26)/t8-/m0/s1
InChIKeyQDRKEPHIMHMCMK-QMMMGPOBSA-N
MW365.32 g/mol
LogP2.12
Rot. Bonds4

About N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide

N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 171496897) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID171496897
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC NameN-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESC[C@H](NC(=O)CN1Cc2cc(F)cnc2NC1=O)c1ncc(F)cc1F
InChIInChI=1S/C16H14F3N5O2/c1-8(14-12(19)3-11(18)4-20-14)22-13(25)7-24-6-9-2-10(17)5-21-15(9)23-16(24)26/h2-5,8H,6-7H2,1H3,(H,22,25)(H,21,23,26)/t8-/m0/s1
InChIKeyQDRKEPHIMHMCMK-QMMMGPOBSA-N
XLogP2.12
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 171496897) is N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide is C[C@H](NC(=O)CN1Cc2cc(F)cnc2NC1=O)c1ncc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is QDRKEPHIMHMCMK-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-8(14-12(19)3-11(18)4-20-14)22-13(25)7-24-6-9-2-10(17)5-21-15(9)23-16(24)26/h2-5,8H,6-7H2,1H3,(H,22,25)(H,21,23,26)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 365.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 171496897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).