methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate

C22H20FN3O4 — CID 172656543

IUPACmethyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1c(C)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H20FN3O4/c1-14-9-12-26(17-5-3-16(23)4-6-17)21(28)19(14)20(27)25-18(22(29)30-2)13-15-7-10-24-11-8-15/h3-12,18H,13H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyRNGGHXVRCQOBPK-GOSISDBHSA-N
MW409.42 g/mol
LogP2.19
Rot. Bonds6

About methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate

methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate (PubChem CID 172656543) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate
PubChem CID172656543
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC Namemethyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1c(C)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H20FN3O4/c1-14-9-12-26(17-5-3-16(23)4-6-17)21(28)19(14)20(27)25-18(22(29)30-2)13-15-7-10-24-11-8-15/h3-12,18H,13H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyRNGGHXVRCQOBPK-GOSISDBHSA-N
XLogP2.19
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 75389342
methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate
CID 175641008
methyl (2S)-2-(methoxycarbonylamino)-3-pyridin-4-ylpropanoate
CID 169081526
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
CID 172658534
methyl 3-(4-fluorophenyl)-2-[(2,4,6-trimethylphenyl)carbamoylamino]propanoate
CID 3758164
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl 2-[[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoate
CID 86592794
methyl (2S)-2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoate
CID 166407659
methyl (2S)-3-(4-hydroxyphenyl)-2-(pyridin-4-ylmethoxycarbonylamino)propanoate
CID 131740234
methyl (2S)-2-(pyrazine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 146266907
methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 3268160
methyl (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 97242583

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate?
The IUPAC name of methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate (CID 172656543) is methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate?
The canonical SMILES for methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate is COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1c(C)ccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate?
The InChIKey is RNGGHXVRCQOBPK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20FN3O4/c1-14-9-12-26(17-5-3-16(23)4-6-17)21(28)19(14)20(27)25-18(22(29)30-2)13-15-7-10-24-11-8-15/h3-12,18H,13H2,1-2H3,(H,25,27)/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate?
methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate has a molecular weight of 409.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 172656543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).