(3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide

C21H23FN6O2 — CID 51960540

IUPAC(3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C[C@@H](NC(N)=O)c3ccccc3F)cn2)n1
InChIInChI=1S/C21H23FN6O2/c1-13-9-14(2)28(27-13)19-8-7-15(11-24-19)12-25-20(29)10-18(26-21(23)30)16-5-3-4-6-17(16)22/h3-9,11,18H,10,12H2,1-2H3,(H,25,29)(H3,23,26,30)/t18-/m1/s1
InChIKeyPGBYNGCXWBAANH-GOSISDBHSA-N
MW410.45 g/mol
LogP2.44
Rot. Bonds7

About (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide

(3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide (PubChem CID 51960540) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
PubChem CID51960540
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name(3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C[C@@H](NC(N)=O)c3ccccc3F)cn2)n1
InChIInChI=1S/C21H23FN6O2/c1-13-9-14(2)28(27-13)19-8-7-15(11-24-19)12-25-20(29)10-18(26-21(23)30)16-5-3-4-6-17(16)22/h3-9,11,18H,10,12H2,1-2H3,(H,25,29)(H3,23,26,30)/t18-/m1/s1
InChIKeyPGBYNGCXWBAANH-GOSISDBHSA-N
XLogP2.44
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide with MolForge

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 51120474
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55859680
2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669656
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55800908
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 87005324
3-[2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]sulfanylpropanamide
CID 56586705
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111853295
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
N-[1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55800621

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide (CID 51960540) is (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide is Cc1cc(C)n(-c2ccc(CNC(=O)C[C@@H](NC(N)=O)c3ccccc3F)cn2)n1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is PGBYNGCXWBAANH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-13-9-14(2)28(27-13)19-8-7-15(11-24-19)12-25-20(29)10-18(26-21(23)30)16-5-3-4-6-17(16)22/h3-9,11,18H,10,12H2,1-2H3,(H,25,29)(H3,23,26,30)/t18-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide?
(3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 410.45 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 51960540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).