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

C19H18F2N4O2 — CID 42522367

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H18F2N4O2/c1-13-6-9-25(24-13)10-7-18(26)23-12-14-3-2-8-22-19(14)27-15-4-5-16(20)17(21)11-15/h2-6,8-9,11H,7,10,12H2,1H3,(H,23,26)
InChIKeyYKSBZOSSNZXPDY-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.36
Rot. Bonds7

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

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 42522367) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID42522367
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H18F2N4O2/c1-13-6-9-25(24-13)10-7-18(26)23-12-14-3-2-8-22-19(14)27-15-4-5-16(20)17(21)11-15/h2-6,8-9,11H,7,10,12H2,1H3,(H,23,26)
InChIKeyYKSBZOSSNZXPDY-UHFFFAOYSA-N
XLogP3.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 42522367) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is YKSBZOSSNZXPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-13-6-9-25(24-13)10-7-18(26)23-12-14-3-2-8-22-19(14)27-15-4-5-16(20)17(21)11-15/h2-6,8-9,11H,7,10,12H2,1H3,(H,23,26).
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 372.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 42522367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).