N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide

C25H29FN4O2 — CID 24990449

IUPACN-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide
SMILESCN(CCOc1ccccn1)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C25H29FN4O2/c1-25(2,3)24(31)30(21-11-9-20(26)10-12-21)18-19-8-13-22(28-17-19)29(4)15-16-32-23-7-5-6-14-27-23/h5-14,17H,15-16,18H2,1-4H3
InChIKeyBLGGRTMTJXYYLA-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.71
Rot. Bonds8

About N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide

N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide (PubChem CID 24990449) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide
PubChem CID24990449
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide
SMILESCN(CCOc1ccccn1)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C25H29FN4O2/c1-25(2,3)24(31)30(21-11-9-20(26)10-12-21)18-19-8-13-22(28-17-19)29(4)15-16-32-23-7-5-6-14-27-23/h5-14,17H,15-16,18H2,1-4H3
InChIKeyBLGGRTMTJXYYLA-UHFFFAOYSA-N
XLogP4.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide (CID 24990449) is N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide is CN(CCOc1ccccn1)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide?
The InChIKey is BLGGRTMTJXYYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-25(2,3)24(31)30(21-11-9-20(26)10-12-21)18-19-8-13-22(28-17-19)29(4)15-16-32-23-7-5-6-14-27-23/h5-14,17H,15-16,18H2,1-4H3.
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide?
N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide has a molecular weight of 436.53 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-2-yloxyethyl)amino]-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 24990449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).