4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol

C19H24N4O — CID 141335699

IUPAC4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESNc1cc(C2CC2)cc(-c2ccc(NC3CCC(O)CC3)nc2)n1
InChIInChI=1S/C19H24N4O/c20-18-10-14(12-1-2-12)9-17(23-18)13-3-8-19(21-11-13)22-15-4-6-16(24)7-5-15/h3,8-12,15-16,24H,1-2,4-7H2,(H2,20,23)(H,21,22)
InChIKeyOPOQJYRCQZOMIA-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.32
Rot. Bonds4

About 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol

4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 141335699) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID141335699
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESNc1cc(C2CC2)cc(-c2ccc(NC3CCC(O)CC3)nc2)n1
InChIInChI=1S/C19H24N4O/c20-18-10-14(12-1-2-12)9-17(23-18)13-3-8-19(21-11-13)22-15-4-6-16(24)7-5-15/h3,8-12,15-16,24H,1-2,4-7H2,(H2,20,23)(H,21,22)
InChIKeyOPOQJYRCQZOMIA-UHFFFAOYSA-N
XLogP3.32
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol (CID 141335699) is 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol is Nc1cc(C2CC2)cc(-c2ccc(NC3CCC(O)CC3)nc2)n1.
What is the InChIKey of 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is OPOQJYRCQZOMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c20-18-10-14(12-1-2-12)9-17(23-18)13-3-8-19(21-11-13)22-15-4-6-16(24)7-5-15/h3,8-12,15-16,24H,1-2,4-7H2,(H2,20,23)(H,21,22).
What are the key properties of 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 324.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 141335699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).