N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine

C23H24FN3O — CID 123887437

IUPACN-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCC(F)Cn2c3ccc(C)cc3c3cc(C)ccc32)n1
InChIInChI=1S/C23H24FN3O/c1-15-7-9-20-18(11-15)19-12-16(2)8-10-21(19)27(20)14-17(24)13-25-22-5-4-6-23(26-22)28-3/h4-12,17H,13-14H2,1-3H3,(H,25,26)
InChIKeyHKMGJDKDUDCTAZ-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.27
Rot. Bonds6

About N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine

N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine (PubChem CID 123887437) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
PubChem CID123887437
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC NameN-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCC(F)Cn2c3ccc(C)cc3c3cc(C)ccc32)n1
InChIInChI=1S/C23H24FN3O/c1-15-7-9-20-18(11-15)19-12-16(2)8-10-21(19)27(20)14-17(24)13-25-22-5-4-6-23(26-22)28-3/h4-12,17H,13-14H2,1-3H3,(H,25,26)
InChIKeyHKMGJDKDUDCTAZ-UHFFFAOYSA-N
XLogP5.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine?
The IUPAC name of N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine (CID 123887437) is N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine.
What is the SMILES notation for N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine?
The canonical SMILES for N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine is COc1cccc(NCC(F)Cn2c3ccc(C)cc3c3cc(C)ccc32)n1.
What is the InChIKey of N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine?
The InChIKey is HKMGJDKDUDCTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-15-7-9-20-18(11-15)19-12-16(2)8-10-21(19)27(20)14-17(24)13-25-22-5-4-6-23(26-22)28-3/h4-12,17H,13-14H2,1-3H3,(H,25,26).
What are the key properties of N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine?
N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine has a molecular weight of 377.46 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine is sourced from PubChem (CID 123887437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).