(2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

C13H18FN3O2 — CID 105386020

IUPAC(2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESNc1nccc(C(=O)N2CCCC2CCCO)c1F
InChIInChI=1S/C13H18FN3O2/c14-11-10(5-6-16-12(11)15)13(19)17-7-1-3-9(17)4-2-8-18/h5-6,9,18H,1-4,7-8H2,(H2,15,16)
InChIKeyLRKBMBZHHAOOGP-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.18
Rot. Bonds4

About (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

(2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 105386020) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID105386020
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name(2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESNc1nccc(C(=O)N2CCCC2CCCO)c1F
InChIInChI=1S/C13H18FN3O2/c14-11-10(5-6-16-12(11)15)13(19)17-7-1-3-9(17)4-2-8-18/h5-6,9,18H,1-4,7-8H2,(H2,15,16)
InChIKeyLRKBMBZHHAOOGP-UHFFFAOYSA-N
XLogP1.18
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 105386742
(4-fluoro-2-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933013
(2-bromo-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933017
(3-amino-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076498
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186797
2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 102870310
(3-hydroxy-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 82828961
(2-bromofuran-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 106853880
furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468240
(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107722906
[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62660396
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 62479974

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 105386020) is (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is Nc1nccc(C(=O)N2CCCC2CCCO)c1F.
What is the InChIKey of (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is LRKBMBZHHAOOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-11-10(5-6-16-12(11)15)13(19)17-7-1-3-9(17)4-2-8-18/h5-6,9,18H,1-4,7-8H2,(H2,15,16).
What are the key properties of (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
(2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 267.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 105386020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).