N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane

C24H35F2N3O2 — CID 176922993

IUPACN-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane
SMILESCCC.COc1ccncc1N(c1ccc(OC(F)F)cc1)C1CCN(C(C)C)CC1
InChIInChI=1S/C21H27F2N3O2.C3H8/c1-15(2)25-12-9-17(10-13-25)26(19-14-24-11-8-20(19)27-3)16-4-6-18(7-5-16)28-21(22)23;1-3-2/h4-8,11,14-15,17,21H,9-10,12-13H2,1-3H3;3H2,1-2H3
InChIKeyPCZARKHGDNJUKJ-UHFFFAOYSA-N
MW435.56 g/mol
LogP6.12
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane

N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane (PubChem CID 176922993) has the molecular formula C24H35F2N3O2 and a molecular weight of 435.56 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane
PubChem CID176922993
Molecular FormulaC24H35F2N3O2
Molecular Weight435.56 g/mol
Exact Mass435.27
IUPAC NameN-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane
SMILESCCC.COc1ccncc1N(c1ccc(OC(F)F)cc1)C1CCN(C(C)C)CC1
InChIInChI=1S/C21H27F2N3O2.C3H8/c1-15(2)25-12-9-17(10-13-25)26(19-14-24-11-8-20(19)27-3)16-4-6-18(7-5-16)28-21(22)23;1-3-2/h4-8,11,14-15,17,21H,9-10,12-13H2,1-3H3;3H2,1-2H3
InChIKeyPCZARKHGDNJUKJ-UHFFFAOYSA-N
XLogP6.12
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane (CID 176922993) is N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane is CCC.COc1ccncc1N(c1ccc(OC(F)F)cc1)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane?
The InChIKey is PCZARKHGDNJUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O2.C3H8/c1-15(2)25-12-9-17(10-13-25)26(19-14-24-11-8-20(19)27-3)16-4-6-18(7-5-16)28-21(22)23;1-3-2/h4-8,11,14-15,17,21H,9-10,12-13H2,1-3H3;3H2,1-2H3.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane?
N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane has a molecular weight of 435.56 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane is sourced from PubChem (CID 176922993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).