N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide

C21H17F4N3O — CID 170647714

IUPACN-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
SMILESNCCCc1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F
InChIInChI=1S/C21H17F4N3O/c22-14-4-1-5-15(23)18(14)19-16(24)7-6-13(20(19)25)21(29)28-17-11-27-10-8-12(17)3-2-9-26/h1,4-8,10-11H,2-3,9,26H2,(H,28,29)
InChIKeyCNDKSTALSZPWQL-UHFFFAOYSA-N
MW403.38 g/mol
LogP4.45
Rot. Bonds6

About N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide

N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide (PubChem CID 170647714) has the molecular formula C21H17F4N3O and a molecular weight of 403.38 g/mol. Its IUPAC name is N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
PubChem CID170647714
Molecular FormulaC21H17F4N3O
Molecular Weight403.38 g/mol
Exact Mass403.13
IUPAC NameN-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
SMILESNCCCc1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F
InChIInChI=1S/C21H17F4N3O/c22-14-4-1-5-15(23)18(14)19-16(24)7-6-13(20(19)25)21(29)28-17-11-27-10-8-12(17)3-2-9-26/h1,4-8,10-11H,2-3,9,26H2,(H,28,29)
InChIKeyCNDKSTALSZPWQL-UHFFFAOYSA-N
XLogP4.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride
CID 170647620
N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 170647649
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
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-3-carboxamide
CID 114258700
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
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
3-(4-amino-2,6-difluorophenyl)-N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 169262346
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647601
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-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The IUPAC name of N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide (CID 170647714) is N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide is NCCCc1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F.
What is the InChIKey of N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The InChIKey is CNDKSTALSZPWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O/c22-14-4-1-5-15(23)18(14)19-16(24)7-6-13(20(19)25)21(29)28-17-11-27-10-8-12(17)3-2-9-26/h1,4-8,10-11H,2-3,9,26H2,(H,28,29).
What are the key properties of N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide has a molecular weight of 403.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 170647714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).