5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide

C20H18F2N4O3 — CID 150776711

IUPAC5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide
SMILESCCOc1ccc(Cc2cnc(C(N)=O)nc2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C20H18F2N4O3/c1-2-28-16-7-6-14(8-12-10-24-19(18(23)27)25-11-12)26-17(16)13-4-3-5-15(9-13)29-20(21)22/h3-7,9-11,20H,2,8H2,1H3,(H2,23,27)
InChIKeyKBABEFAQKMXRDA-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.23
Rot. Bonds8

About 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide

5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide (PubChem CID 150776711) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide
PubChem CID150776711
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide
SMILESCCOc1ccc(Cc2cnc(C(N)=O)nc2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C20H18F2N4O3/c1-2-28-16-7-6-14(8-12-10-24-19(18(23)27)25-11-12)26-17(16)13-4-3-5-15(9-13)29-20(21)22/h3-7,9-11,20H,2,8H2,1H3,(H2,23,27)
InChIKeyKBABEFAQKMXRDA-UHFFFAOYSA-N
XLogP3.23
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide
CID 90415667
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile
CID 151067245
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyridin-1-ium-2-yl]methyl]pyrimidine-2-carboxamide
CID 150776710
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide
CID 90415233
[1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol
CID 90416407
5-[1-[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]ethyl]-1H-1,2,4-triazole-3-carboxylic acid
CID 175132074
5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine
CID 123507437
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62653135
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402978
acetylene;2-[(Z)-1-[5-(difluoromethoxy)-6-[3-(difluoromethoxy)phenyl]-2-pyridinyl]but-2-en-2-yl]sulfanylprop-2-en-1-ol
CID 178019784
[1-[[5-[3-(difluoromethoxy)phenyl]-6-ethoxy-3-pyridinyl]methyl]-1,2,4-triazol-3-yl]methanol
CID 90414911
2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 156623675

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide (CID 150776711) is 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide is CCOc1ccc(Cc2cnc(C(N)=O)nc2)nc1-c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide?
The InChIKey is KBABEFAQKMXRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-2-28-16-7-6-14(8-12-10-24-19(18(23)27)25-11-12)26-17(16)13-4-3-5-15(9-13)29-20(21)22/h3-7,9-11,20H,2,8H2,1H3,(H2,23,27).
What are the key properties of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide?
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 150776711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).