N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide

C23H19F4N3O2 — CID 170647889

IUPACN-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
SMILESN[C@H]1CCC[C@@H]1Oc1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F
InChIInChI=1S/C23H19F4N3O2/c24-13-3-1-4-14(25)20(13)21-15(26)8-7-12(22(21)27)23(31)30-17-11-29-10-9-19(17)32-18-6-2-5-16(18)28/h1,3-4,7-11,16,18H,2,5-6,28H2,(H,30,31)/t16-,18-/m0/s1
InChIKeyIHTZERXBYAKYPW-WMZOPIPTSA-N
MW445.42 g/mol
LogP4.82
Rot. Bonds5

About N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide

N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide (PubChem CID 170647889) has the molecular formula C23H19F4N3O2 and a molecular weight of 445.42 g/mol. Its IUPAC name is N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
PubChem CID170647889
Molecular FormulaC23H19F4N3O2
Molecular Weight445.42 g/mol
Exact Mass445.14
IUPAC NameN-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
SMILESN[C@H]1CCC[C@@H]1Oc1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F
InChIInChI=1S/C23H19F4N3O2/c24-13-3-1-4-14(25)20(13)21-15(26)8-7-12(22(21)27)23(31)30-17-11-29-10-9-19(17)32-18-6-2-5-16(18)28/h1,3-4,7-11,16,18H,2,5-6,28H2,(H,30,31)/t16-,18-/m0/s1
InChIKeyIHTZERXBYAKYPW-WMZOPIPTSA-N
XLogP4.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-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-[[(1S,2S)-2-aminocyclopentyl]amino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride
CID 170647630
N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride
CID 170647620
N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 170647714
6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 71262676
N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647838
N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 170647649
N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744496
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647601
N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262725
3-(4-amino-2,6-difluorophenyl)-N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 169262346
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-4-methoxyphenyl)-2,4-difluorobenzamide;dihydrochloride
CID 169262231
methyl 4-[3-[[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-2,6-difluorophenyl]-3,5-difluorobenzoate
CID 169262368

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The IUPAC name of N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide (CID 170647889) is N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide is N[C@H]1CCC[C@@H]1Oc1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F.
What is the InChIKey of N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The InChIKey is IHTZERXBYAKYPW-WMZOPIPTSA-N. The full InChI is InChI=1S/C23H19F4N3O2/c24-13-3-1-4-14(25)20(13)21-15(26)8-7-12(22(21)27)23(31)30-17-11-29-10-9-19(17)32-18-6-2-5-16(18)28/h1,3-4,7-11,16,18H,2,5-6,28H2,(H,30,31)/t16-,18-/m0/s1.
What are the key properties of N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide has a molecular weight of 445.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 170647889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).