6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine

C18H24ClN5O — CID 168835236

IUPAC6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine
SMILESCOC1CC(c2cc(Cl)nc(NC3CCCC3)c2)(c2nncn2C)C1
InChIInChI=1S/C18H24ClN5O/c1-24-11-20-23-17(24)18(9-14(10-18)25-2)12-7-15(19)22-16(8-12)21-13-5-3-4-6-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3,(H,21,22)
InChIKeyUKBVHLYDCFIDAC-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.31
Rot. Bonds5

About 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine

6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine (PubChem CID 168835236) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine
PubChem CID168835236
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine
SMILESCOC1CC(c2cc(Cl)nc(NC3CCCC3)c2)(c2nncn2C)C1
InChIInChI=1S/C18H24ClN5O/c1-24-11-20-23-17(24)18(9-14(10-18)25-2)12-7-15(19)22-16(8-12)21-13-5-3-4-6-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3,(H,21,22)
InChIKeyUKBVHLYDCFIDAC-UHFFFAOYSA-N
XLogP3.31
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine (CID 168835236) is 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine is COC1CC(c2cc(Cl)nc(NC3CCCC3)c2)(c2nncn2C)C1.
What is the InChIKey of 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine?
The InChIKey is UKBVHLYDCFIDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-24-11-20-23-17(24)18(9-14(10-18)25-2)12-7-15(19)22-16(8-12)21-13-5-3-4-6-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3,(H,21,22).
What are the key properties of 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine?
6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine has a molecular weight of 361.88 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-4-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-amine is sourced from PubChem (CID 168835236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).