N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide

C20H22F2N2O — CID 119036910

IUPACN-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide
SMILESCC(C)C(C(=O)NCC1(c2ccc(F)cc2F)CC1)c1ccncc1
InChIInChI=1S/C20H22F2N2O/c1-13(2)18(14-5-9-23-10-6-14)19(25)24-12-20(7-8-20)16-4-3-15(21)11-17(16)22/h3-6,9-11,13,18H,7-8,12H2,1-2H3,(H,24,25)
InChIKeyXGRGFQUBZDEGHU-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.95
Rot. Bonds6

About N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide

N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide (PubChem CID 119036910) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide
PubChem CID119036910
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide
SMILESCC(C)C(C(=O)NCC1(c2ccc(F)cc2F)CC1)c1ccncc1
InChIInChI=1S/C20H22F2N2O/c1-13(2)18(14-5-9-23-10-6-14)19(25)24-12-20(7-8-20)16-4-3-15(21)11-17(16)22/h3-6,9-11,13,18H,7-8,12H2,1-2H3,(H,24,25)
InChIKeyXGRGFQUBZDEGHU-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide with MolForge

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Related Compounds

(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 84592012
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
CID 75393986
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352
(2S)-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 97064234
4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762956
3-[[1-(2,4-difluorophenyl)cyclopropyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122008220
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
CID 97330719
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010799

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide (CID 119036910) is N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide is CC(C)C(C(=O)NCC1(c2ccc(F)cc2F)CC1)c1ccncc1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide?
The InChIKey is XGRGFQUBZDEGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-13(2)18(14-5-9-23-10-6-14)19(25)24-12-20(7-8-20)16-4-3-15(21)11-17(16)22/h3-6,9-11,13,18H,7-8,12H2,1-2H3,(H,24,25).
What are the key properties of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide?
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide has a molecular weight of 344.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide is sourced from PubChem (CID 119036910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).