N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide

C20H20F2N4O2 — CID 42292028

IUPACN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2cccnc2Oc2ccc(C)c(F)c2F)n1
InChIInChI=1S/C20H20F2N4O2/c1-13-5-6-16(19(22)18(13)21)28-20-15(4-3-9-23-20)12-24-17(27)8-11-26-10-7-14(2)25-26/h3-7,9-10H,8,11-12H2,1-2H3,(H,24,27)
InChIKeySXJILICKVBKEET-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.67
Rot. Bonds7

About N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 42292028) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID42292028
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2cccnc2Oc2ccc(C)c(F)c2F)n1
InChIInChI=1S/C20H20F2N4O2/c1-13-5-6-16(19(22)18(13)21)28-20-15(4-3-9-23-20)12-24-17(27)8-11-26-10-7-14(2)25-26/h3-7,9-10H,8,11-12H2,1-2H3,(H,24,27)
InChIKeySXJILICKVBKEET-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 42292028) is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NCc2cccnc2Oc2ccc(C)c(F)c2F)n1.
What is the InChIKey of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is SXJILICKVBKEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-13-5-6-16(19(22)18(13)21)28-20-15(4-3-9-23-20)12-24-17(27)8-11-26-10-7-14(2)25-26/h3-7,9-10H,8,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 386.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 42292028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).