2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine

C27H28ClN7O3 — CID 157052711

IUPAC2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine
SMILESCOc1cncc(-c2cnc(Cl)cc2N)c1.COc1cncc(-c2cnc(N3CC4(COC4)C3)cc2N)c1
InChIInChI=1S/C16H18N4O2.C11H10ClN3O/c1-21-12-2-11(4-18-5-12)13-6-19-15(3-14(13)17)20-7-16(8-20)9-22-10-16;1-16-8-2-7(4-14-5-8)9-6-15-11(12)3-10(9)13/h2-6H,7-10H2,1H3,(H2,17,19);2-6H,1H3,(H2,13,15)
InChIKeyAAJYXOFQTLRJAK-UHFFFAOYSA-N
MW534.02 g/mol
LogP3.96
Rot. Bonds5

About 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine

2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine (PubChem CID 157052711) has the molecular formula C27H28ClN7O3 and a molecular weight of 534.02 g/mol. Its IUPAC name is 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine
PubChem CID157052711
Molecular FormulaC27H28ClN7O3
Molecular Weight534.02 g/mol
Exact Mass533.19
IUPAC Name2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine
SMILESCOc1cncc(-c2cnc(Cl)cc2N)c1.COc1cncc(-c2cnc(N3CC4(COC4)C3)cc2N)c1
InChIInChI=1S/C16H18N4O2.C11H10ClN3O/c1-21-12-2-11(4-18-5-12)13-6-19-15(3-14(13)17)20-7-16(8-20)9-22-10-16;1-16-8-2-7(4-14-5-8)9-6-15-11(12)3-10(9)13/h2-6H,7-10H2,1H3,(H2,17,19);2-6H,1H3,(H2,13,15)
InChIKeyAAJYXOFQTLRJAK-UHFFFAOYSA-N
XLogP3.96
TPSA134.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.02
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine (CID 157052711) is 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine is COc1cncc(-c2cnc(Cl)cc2N)c1.COc1cncc(-c2cnc(N3CC4(COC4)C3)cc2N)c1.
What is the InChIKey of 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine?
The InChIKey is AAJYXOFQTLRJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.C11H10ClN3O/c1-21-12-2-11(4-18-5-12)13-6-19-15(3-14(13)17)20-7-16(8-20)9-22-10-16;1-16-8-2-7(4-14-5-8)9-6-15-11(12)3-10(9)13/h2-6H,7-10H2,1H3,(H2,17,19);2-6H,1H3,(H2,13,15).
What are the key properties of 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine?
2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine has a molecular weight of 534.02 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine is sourced from PubChem (CID 157052711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).