N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide

C15H17F2N5O2 — CID 170731033

IUPACN-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
SMILESCCOc1cnc(NC(C)=O)cc1Nc1nccc(C(C)(F)F)n1
InChIInChI=1S/C15H17F2N5O2/c1-4-24-11-8-19-13(20-9(2)23)7-10(11)21-14-18-6-5-12(22-14)15(3,16)17/h5-8H,4H2,1-3H3,(H2,18,19,20,21,22,23)
InChIKeyPJWYFCJHQZKLOS-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.08
Rot. Bonds6

About N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide

N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide (PubChem CID 170731033) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
PubChem CID170731033
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC NameN-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
SMILESCCOc1cnc(NC(C)=O)cc1Nc1nccc(C(C)(F)F)n1
InChIInChI=1S/C15H17F2N5O2/c1-4-24-11-8-19-13(20-9(2)23)7-10(11)21-14-18-6-5-12(22-14)15(3,16)17/h5-8H,4H2,1-3H3,(H2,18,19,20,21,22,23)
InChIKeyPJWYFCJHQZKLOS-UHFFFAOYSA-N
XLogP3.08
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 175990672
N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 170730400
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166358351
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]propanamide
CID 170730829
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
CID 170730971
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(pyridin-3-ylmethoxy)-2-pyridinyl]acetamide
CID 170731313
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2R)-2-methoxybutoxy]-2-pyridinyl]acetamide
CID 175990661
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4,6-dimethylpyrimidin-5-yl)methoxy]-2-pyridinyl]acetamide
CID 170730658
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]acetamide
CID 175990656
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2-methoxyphenyl)methoxy]-2-pyridinyl]acetamide
CID 170730480
N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
CID 170731337
N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide
CID 170730824

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide (CID 170731033) is N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide is CCOc1cnc(NC(C)=O)cc1Nc1nccc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
The InChIKey is PJWYFCJHQZKLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c1-4-24-11-8-19-13(20-9(2)23)7-10(11)21-14-18-6-5-12(22-14)15(3,16)17/h5-8H,4H2,1-3H3,(H2,18,19,20,21,22,23).
What are the key properties of N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide has a molecular weight of 337.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170731033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).