N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide

C24H24F4N4O — CID 170647649

IUPACN-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
SMILESCN(CC(C)(C)CN)c1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F
InChIInChI=1S/C24H24F4N4O/c1-24(2,12-29)13-32(3)19-9-10-30-11-18(19)31-23(33)14-7-8-17(27)21(22(14)28)20-15(25)5-4-6-16(20)26/h4-11H,12-13,29H2,1-3H3,(H,31,33)
InChIKeyJAYKMINQJFHOPD-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.98
Rot. Bonds7

About N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide

N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide (PubChem CID 170647649) has the molecular formula C24H24F4N4O and a molecular weight of 460.48 g/mol. Its IUPAC name is N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
PubChem CID170647649
Molecular FormulaC24H24F4N4O
Molecular Weight460.48 g/mol
Exact Mass460.19
IUPAC NameN-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
SMILESCN(CC(C)(C)CN)c1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F
InChIInChI=1S/C24H24F4N4O/c1-24(2,12-29)13-32(3)19-9-10-30-11-18(19)31-23(33)14-7-8-17(27)21(22(14)28)20-15(25)5-4-6-16(20)26/h4-11H,12-13,29H2,1-3H3,(H,31,33)
InChIKeyJAYKMINQJFHOPD-UHFFFAOYSA-N
XLogP4.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide with MolForge

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Related Compounds

N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 170647714
N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride
CID 170647620
N-[4-[[(1S,2S)-2-aminocyclopentyl]amino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride
CID 170647630
N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 170647889
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide
CID 79652666
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581
3-(2,6-difluoro-4-methoxyphenyl)-2,4-difluoro-N-[4-(3-hydroxypropylsulfanyl)-3-pyridinyl]benzamide
CID 170647826
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 103885438
4-[3-[[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-2,6-difluorophenyl]-3,5-difluorobenzoic acid
CID 169262239

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The IUPAC name of N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide (CID 170647649) is N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide is CN(CC(C)(C)CN)c1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F.
What is the InChIKey of N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The InChIKey is JAYKMINQJFHOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O/c1-24(2,12-29)13-32(3)19-9-10-30-11-18(19)31-23(33)14-7-8-17(27)21(22(14)28)20-15(25)5-4-6-16(20)26/h4-11H,12-13,29H2,1-3H3,(H,31,33).
What are the key properties of N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide has a molecular weight of 460.48 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 170647649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).