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

C25H29FN4O — CID 24990087

IUPACN-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide
SMILESCN(CCc1cccnc1)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C25H29FN4O/c1-25(2,3)24(31)30(22-10-8-21(26)9-11-22)18-20-7-12-23(28-17-20)29(4)15-13-19-6-5-14-27-16-19/h5-12,14,16-17H,13,15,18H2,1-4H3
InChIKeyGQZVOFNUCMNKMT-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.87
Rot. Bonds7

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

N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide (PubChem CID 24990087) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide
PubChem CID24990087
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide
SMILESCN(CCc1cccnc1)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C25H29FN4O/c1-25(2,3)24(31)30(22-10-8-21(26)9-11-22)18-20-7-12-23(28-17-20)29(4)15-13-19-6-5-14-27-16-19/h5-12,14,16-17H,13,15,18H2,1-4H3
InChIKeyGQZVOFNUCMNKMT-UHFFFAOYSA-N
XLogP4.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
CID 24989313
N-(4-fluorophenyl)-2-(6-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75416170
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
N-[(6-acetyl-3-pyridinyl)methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 69168158
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71938987
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine
CID 174419300
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
2-[[(Z)-2-amino-3-(dimethylamino)prop-1-enyl]amino]-N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 143695839

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide (CID 24990087) is N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide is CN(CCc1cccnc1)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-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide?
The InChIKey is GQZVOFNUCMNKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-25(2,3)24(31)30(22-10-8-21(26)9-11-22)18-20-7-12-23(28-17-20)29(4)15-13-19-6-5-14-27-16-19/h5-12,14,16-17H,13,15,18H2,1-4H3.
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide?
N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide has a molecular weight of 420.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl(2-pyridin-3-ylethyl)amino]-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 24990087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).