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

C19H18F2N4O2 — CID 26405547

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CCC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4O2/c1-13-22-8-10-25(13)9-6-18(26)24-12-14-3-2-7-23-19(14)27-15-4-5-16(20)17(21)11-15/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,24,26)
InChIKeyPRLUGZHVPCYRHM-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.36
Rot. Bonds7

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

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide (PubChem CID 26405547) 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-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide
PubChem CID26405547
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CCC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4O2/c1-13-22-8-10-25(13)9-6-18(26)24-12-14-3-2-7-23-19(14)27-15-4-5-16(20)17(21)11-15/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,24,26)
InChIKeyPRLUGZHVPCYRHM-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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Related Compounds

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide
CID 56739429
(2S)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 26413168
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide
CID 56750373
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 56752511
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 25289025
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42519109
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42291285
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 56752369
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-4-oxopyran-2-carboxamide
CID 56754301
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369
2-[(4-chlorophenyl)methylsulfanyl]-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55692937
3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 25289476

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide (CID 26405547) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide is Cc1nccn1CCC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide?
The InChIKey is PRLUGZHVPCYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-13-22-8-10-25(13)9-6-18(26)24-12-14-3-2-7-23-19(14)27-15-4-5-16(20)17(21)11-15/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,24,26).
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-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-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 26405547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).