3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide

C17H19FN4O3 — CID 127266929

IUPAC3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1)Nc1cccc(F)c1
InChIInChI=1S/C17H19FN4O3/c18-12-2-1-3-13(8-12)19-15(23)5-7-22-6-4-11(10-22)14-9-16(24)21-17(25)20-14/h1-3,8-9,11H,4-7,10H2,(H,19,23)(H2,20,21,24,25)
InChIKeyIAKGPNGXOPNXHB-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.02
Rot. Bonds5

About 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide

3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 127266929) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide
PubChem CID127266929
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1)Nc1cccc(F)c1
InChIInChI=1S/C17H19FN4O3/c18-12-2-1-3-13(8-12)19-15(23)5-7-22-6-4-11(10-22)14-9-16(24)21-17(25)20-14/h1-3,8-9,11H,4-7,10H2,(H,19,23)(H2,20,21,24,25)
InChIKeyIAKGPNGXOPNXHB-UHFFFAOYSA-N
XLogP1.02
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride
CID 119927376
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
N-(3-fluorophenyl)-3-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]propanamide
CID 124513966
3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide
CID 71915085
N-(3-fluorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63248996
3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 78896184
N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55864910
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526384
3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 31990337
3-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 47532762
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide (CID 127266929) is 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide is O=C(CCN1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1)Nc1cccc(F)c1.
What is the InChIKey of 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is IAKGPNGXOPNXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-12-2-1-3-13(8-12)19-15(23)5-7-22-6-4-11(10-22)14-9-16(24)21-17(25)20-14/h1-3,8-9,11H,4-7,10H2,(H,19,23)(H2,20,21,24,25).
What are the key properties of 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide?
3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 346.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 127266929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).