3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine

C16H22FN3O — CID 105389063

IUPAC3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)Cc2ccc(C)o2)c1F
InChIInChI=1S/C16H22FN3O/c1-4-8-18-10-13-7-9-19-16(15(13)17)20(3)11-14-6-5-12(2)21-14/h5-7,9,18H,4,8,10-11H2,1-3H3
InChIKeyPHDQEKIRMVPXLE-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.26
Rot. Bonds7

About 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine

3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 105389063) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
PubChem CID105389063
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)Cc2ccc(C)o2)c1F
InChIInChI=1S/C16H22FN3O/c1-4-8-18-10-13-7-9-19-16(15(13)17)20(3)11-14-6-5-12(2)21-14/h5-7,9,18H,4,8,10-11H2,1-3H3
InChIKeyPHDQEKIRMVPXLE-UHFFFAOYSA-N
XLogP3.26
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 62279941
3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389300
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389581
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
CID 81249049
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 62280099
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105390476
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279942
N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389439

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine (CID 105389063) is 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccnc(N(C)Cc2ccc(C)o2)c1F.
What is the InChIKey of 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is PHDQEKIRMVPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-8-18-10-13-7-9-19-16(15(13)17)20(3)11-14-6-5-12(2)21-14/h5-7,9,18H,4,8,10-11H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine?
3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 105389063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).