4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol

C14H22ClN3O — CID 65077777

IUPAC4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(c2cc(Cl)cnc2N)CC1
InChIInChI=1S/C14H22ClN3O/c1-10(2)18-6-3-4-14(19,5-7-18)12-8-11(15)9-17-13(12)16/h8-10,19H,3-7H2,1-2H3,(H2,16,17)
InChIKeyNWYORIBBYVZOKB-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.40
Rot. Bonds2

About 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol

4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol (PubChem CID 65077777) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol
PubChem CID65077777
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(c2cc(Cl)cnc2N)CC1
InChIInChI=1S/C14H22ClN3O/c1-10(2)18-6-3-4-14(19,5-7-18)12-8-11(15)9-17-13(12)16/h8-10,19H,3-7H2,1-2H3,(H2,16,17)
InChIKeyNWYORIBBYVZOKB-UHFFFAOYSA-N
XLogP2.40
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol (CID 65077777) is 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol is CC(C)N1CCCC(O)(c2cc(Cl)cnc2N)CC1.
What is the InChIKey of 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol?
The InChIKey is NWYORIBBYVZOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)18-6-3-4-14(19,5-7-18)12-8-11(15)9-17-13(12)16/h8-10,19H,3-7H2,1-2H3,(H2,16,17).
What are the key properties of 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol?
4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol has a molecular weight of 283.80 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-chloro-3-pyridinyl)-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 65077777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).