6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine

C24H33N3O — CID 134293566

IUPAC6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
SMILESCC(C)c1ccnc(Nc2cc(C3(C(C)C)CCOCC3)cc(C3CC3)n2)c1
InChIInChI=1S/C24H33N3O/c1-16(2)19-7-10-25-22(13-19)27-23-15-20(14-21(26-23)18-5-6-18)24(17(3)4)8-11-28-12-9-24/h7,10,13-18H,5-6,8-9,11-12H2,1-4H3,(H,25,26,27)
InChIKeyRQGYDWZSWBTCMA-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.93
Rot. Bonds6

About 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine

6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine (PubChem CID 134293566) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
PubChem CID134293566
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
SMILESCC(C)c1ccnc(Nc2cc(C3(C(C)C)CCOCC3)cc(C3CC3)n2)c1
InChIInChI=1S/C24H33N3O/c1-16(2)19-7-10-25-22(13-19)27-23-15-20(14-21(26-23)18-5-6-18)24(17(3)4)8-11-28-12-9-24/h7,10,13-18H,5-6,8-9,11-12H2,1-4H3,(H,25,26,27)
InChIKeyRQGYDWZSWBTCMA-UHFFFAOYSA-N
XLogP5.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine (CID 134293566) is 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine is CC(C)c1ccnc(Nc2cc(C3(C(C)C)CCOCC3)cc(C3CC3)n2)c1.
What is the InChIKey of 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine?
The InChIKey is RQGYDWZSWBTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-16(2)19-7-10-25-22(13-19)27-23-15-20(14-21(26-23)18-5-6-18)24(17(3)4)8-11-28-12-9-24/h7,10,13-18H,5-6,8-9,11-12H2,1-4H3,(H,25,26,27).
What are the key properties of 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine?
6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine has a molecular weight of 379.55 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 134293566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).