[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone

C15H19F2N3O3 — CID 167800636

IUPAC[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCOCC2)ccn1)N1CC(F)(F)CC1CO
InChIInChI=1S/C15H19F2N3O3/c16-15(17)8-12(9-21)20(10-15)14(22)13-7-11(1-2-18-13)19-3-5-23-6-4-19/h1-2,7,12,21H,3-6,8-10H2
InChIKeyOBQPGZYVOLSCKI-UHFFFAOYSA-N
MW327.33 g/mol
LogP0.76
Rot. Bonds3

About [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone

[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone (PubChem CID 167800636) has the molecular formula C15H19F2N3O3 and a molecular weight of 327.33 g/mol. Its IUPAC name is [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
PubChem CID167800636
Molecular FormulaC15H19F2N3O3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCOCC2)ccn1)N1CC(F)(F)CC1CO
InChIInChI=1S/C15H19F2N3O3/c16-15(17)8-12(9-21)20(10-15)14(22)13-7-11(1-2-18-13)19-3-5-23-6-4-19/h1-2,7,12,21H,3-6,8-10H2
InChIKeyOBQPGZYVOLSCKI-UHFFFAOYSA-N
XLogP0.76
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 9489775
[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56911992
(4-morpholin-4-yl-2-pyridinyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 136534504
[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 95724039
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-benzyl-N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide
CID 86681827
[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 154784880
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 17431619
(2-ethylpiperidin-1-yl)-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216338
N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743

Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The IUPAC name of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone (CID 167800636) is [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone.
What is the SMILES notation for [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The canonical SMILES for [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone is O=C(c1cc(N2CCOCC2)ccn1)N1CC(F)(F)CC1CO.
What is the InChIKey of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The InChIKey is OBQPGZYVOLSCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3/c16-15(17)8-12(9-21)20(10-15)14(22)13-7-11(1-2-18-13)19-3-5-23-6-4-19/h1-2,7,12,21H,3-6,8-10H2.
What are the key properties of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone has a molecular weight of 327.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone is sourced from PubChem (CID 167800636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).