7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide

C20H24Cl2FN3O3 — CID 175342332

IUPAC7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide
SMILESNc1ncc(CCCCCCC(=O)NO)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H24Cl2FN3O3/c21-15-7-8-16(23)19(22)14(15)9-10-29-17-11-13(12-25-20(17)24)5-3-1-2-4-6-18(27)26-28/h7-8,11-12,28H,1-6,9-10H2,(H2,24,25)(H,26,27)
InChIKeyQZQJUPXZXMAFJX-UHFFFAOYSA-N
MW444.33 g/mol
LogP4.73
Rot. Bonds11

About 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide

7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide (PubChem CID 175342332) has the molecular formula C20H24Cl2FN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide
PubChem CID175342332
Molecular FormulaC20H24Cl2FN3O3
Molecular Weight444.33 g/mol
Exact Mass443.12
IUPAC Name7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide
SMILESNc1ncc(CCCCCCC(=O)NO)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H24Cl2FN3O3/c21-15-7-8-16(23)19(22)14(15)9-10-29-17-11-13(12-25-20(17)24)5-3-1-2-4-6-18(27)26-28/h7-8,11-12,28H,1-6,9-10H2,(H2,24,25)(H,26,27)
InChIKeyQZQJUPXZXMAFJX-UHFFFAOYSA-N
XLogP4.73
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 91589682
4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol
CID 91405872
5-bromo-3-[(2,6-dichloro-3-fluorophenyl)methoxy]pyridin-2-amine
CID 21111485
(3S)-3-[2-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethynyl]pyrrolidin-3-ol
CID 90014738
N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide
CID 141427487
6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide
CID 134261356
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 90961480
1-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-methylbut-3-yn-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 91328440
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
1-[2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethyl]pyrrolidin-2-one
CID 91370323
5-[6-amino-7-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]thiophene-3-carboxylic acid
CID 68633477

Frequently Asked Questions

What is the IUPAC name of 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide?
The IUPAC name of 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide (CID 175342332) is 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide is Nc1ncc(CCCCCCC(=O)NO)cc1OCCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide?
The InChIKey is QZQJUPXZXMAFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2FN3O3/c21-15-7-8-16(23)19(22)14(15)9-10-29-17-11-13(12-25-20(17)24)5-3-1-2-4-6-18(27)26-28/h7-8,11-12,28H,1-6,9-10H2,(H2,24,25)(H,26,27).
What are the key properties of 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide?
7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide has a molecular weight of 444.33 g/mol, XLogP of 4.73, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide is sourced from PubChem (CID 175342332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).