1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine

C14H22FN3 — CID 114035444

IUPAC1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(F)cnc1N1CCC(C(C)C)C1
InChIInChI=1S/C14H22FN3/c1-10(2)11-4-5-18(9-11)14-12(7-16-3)6-13(15)8-17-14/h6,8,10-11,16H,4-5,7,9H2,1-3H3
InChIKeyGLXYMMQQFBAAEW-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.42
Rot. Bonds4

About 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine

1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 114035444) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID114035444
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(F)cnc1N1CCC(C(C)C)C1
InChIInChI=1S/C14H22FN3/c1-10(2)11-4-5-18(9-11)14-12(7-16-3)6-13(15)8-17-14/h6,8,10-11,16H,4-5,7,9H2,1-3H3
InChIKeyGLXYMMQQFBAAEW-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63169019
N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 114035146
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 113419468
N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105390385
1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
CID 114035380
1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol
CID 115965646
1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62281889
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
N-[1-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
CID 115993874
1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102967673

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 114035444) is 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(F)cnc1N1CCC(C(C)C)C1.
What is the InChIKey of 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is GLXYMMQQFBAAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-10(2)11-4-5-18(9-11)14-12(7-16-3)6-13(15)8-17-14/h6,8,10-11,16H,4-5,7,9H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 251.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114035444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).