(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone

C13H18FN3O — CID 105386742

IUPAC(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1ccnc(N)c1F
InChIInChI=1S/C13H18FN3O/c1-8(2)10-4-3-7-17(10)13(18)9-5-6-16-12(15)11(9)14/h5-6,8,10H,3-4,7H2,1-2H3,(H2,15,16)
InChIKeyMEMBIIQOPMXVIP-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.06
Rot. Bonds2

About (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone

(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 105386742) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID105386742
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1ccnc(N)c1F
InChIInChI=1S/C13H18FN3O/c1-8(2)10-4-3-7-17(10)13(18)9-5-6-16-12(15)11(9)14/h5-6,8,10H,3-4,7H2,1-2H3,(H2,15,16)
InChIKeyMEMBIIQOPMXVIP-UHFFFAOYSA-N
XLogP2.06
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 105386020
(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 81443348
(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113288616
(5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113281661
(2-bromo-4-fluorophenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62734387
(2-bromo-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 103754939
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 105386764
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 129369364
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 66482687
(5-bromo-2-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62998965
(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 105386166

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (CID 105386742) is (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCCN1C(=O)c1ccnc(N)c1F.
What is the InChIKey of (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is MEMBIIQOPMXVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-8(2)10-4-3-7-17(10)13(18)9-5-6-16-12(15)11(9)14/h5-6,8,10H,3-4,7H2,1-2H3,(H2,15,16).
What are the key properties of (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 105386742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).