N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide

C16H19F2N5O3 — CID 175990672

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
SMILESCCOc1cnc(NC(C)=O)cc1Nc1cc(OC)nc(C(C)(F)F)n1
InChIInChI=1S/C16H19F2N5O3/c1-5-26-11-8-19-12(20-9(2)24)6-10(11)21-13-7-14(25-4)23-15(22-13)16(3,17)18/h6-8H,5H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyCEVHGHPVADFMQC-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.09
Rot. Bonds7

About N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide (PubChem CID 175990672) has the molecular formula C16H19F2N5O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
PubChem CID175990672
Molecular FormulaC16H19F2N5O3
Molecular Weight367.36 g/mol
Exact Mass367.15
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
SMILESCCOc1cnc(NC(C)=O)cc1Nc1cc(OC)nc(C(C)(F)F)n1
InChIInChI=1S/C16H19F2N5O3/c1-5-26-11-8-19-12(20-9(2)24)6-10(11)21-13-7-14(25-4)23-15(22-13)16(3,17)18/h6-8H,5H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyCEVHGHPVADFMQC-UHFFFAOYSA-N
XLogP3.09
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 170730400
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]propanamide
CID 170730829
N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide
CID 170730824
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-propan-2-ylpyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
CID 170731337
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-[(2-methoxyphenyl)methoxy]-2-pyridinyl]acetamide
CID 170730480
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-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 170731033
N-[4-[[2-(1,1-difluoroethyl)-6-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
CID 175990957
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-[(3-methyl-1,2-thiazol-4-yl)methoxy]-2-pyridinyl]acetamide
CID 175990823

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide (CID 175990672) is N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide is CCOc1cnc(NC(C)=O)cc1Nc1cc(OC)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
The InChIKey is CEVHGHPVADFMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O3/c1-5-26-11-8-19-12(20-9(2)24)6-10(11)21-13-7-14(25-4)23-15(22-13)16(3,17)18/h6-8H,5H2,1-4H3,(H2,19,20,21,22,23,24).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide has a molecular weight of 367.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide is sourced from PubChem (CID 175990672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).