(5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide

C21H24FN5O4 — CID 173100317

IUPAC(5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)NC[C@@H]1CCC(C(N)=O)N1CC(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C21H24FN5O4/c1-13(28)24-11-15-6-8-18(21(23)31)27(15)12-19(29)25-17-7-5-14(10-16(17)22)26-9-3-2-4-20(26)30/h2-5,7,9-10,15,18H,6,8,11-12H2,1H3,(H2,23,31)(H,24,28)(H,25,29)/t15-,18?/m0/s1
InChIKeyIOJHWIXBHJMWJM-BUSXIPJBSA-N
MW429.45 g/mol
LogP0.37
Rot. Bonds7

About (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide

(5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 173100317) has the molecular formula C21H24FN5O4 and a molecular weight of 429.45 g/mol. Its IUPAC name is (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID173100317
Molecular FormulaC21H24FN5O4
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name(5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)NC[C@@H]1CCC(C(N)=O)N1CC(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C21H24FN5O4/c1-13(28)24-11-15-6-8-18(21(23)31)27(15)12-19(29)25-17-7-5-14(10-16(17)22)26-9-3-2-4-20(26)30/h2-5,7,9-10,15,18H,6,8,11-12H2,1H3,(H2,23,31)(H,24,28)(H,25,29)/t15-,18?/m0/s1
InChIKeyIOJHWIXBHJMWJM-BUSXIPJBSA-N
XLogP0.37
TPSA126.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide
CID 173100248
(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide
CID 173100301
2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68647235
N-(cyclopropylmethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 140510044
5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 143317052
(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
CID 68686788
2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68646481
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
2-[(3S,4S)-3-amino-4-[2-(dimethylamino)-2-oxoethoxy]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68647166
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 69114943
N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 91005801

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 173100317) is (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide is CC(=O)NC[C@@H]1CCC(C(N)=O)N1CC(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is IOJHWIXBHJMWJM-BUSXIPJBSA-N. The full InChI is InChI=1S/C21H24FN5O4/c1-13(28)24-11-15-6-8-18(21(23)31)27(15)12-19(29)25-17-7-5-14(10-16(17)22)26-9-3-2-4-20(26)30/h2-5,7,9-10,15,18H,6,8,11-12H2,1H3,(H2,23,31)(H,24,28)(H,25,29)/t15-,18?/m0/s1.
What are the key properties of (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
(5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 173100317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).