N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

C18H20ClN5O3S — CID 58777757

IUPACN-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
SMILESNC1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cn2)C1
InChIInChI=1S/C18H20ClN5O3S/c19-15-3-2-14(28-15)17(25)22-8-13-10-24(18(26)27-13)12-1-4-16(21-7-12)23-6-5-11(20)9-23/h1-4,7,11,13H,5-6,8-10,20H2,(H,22,25)/t11?,13-/m0/s1
InChIKeyVKDLWAZJLCBNGK-YUZLPWPTSA-N
MW421.91 g/mol
LogP2.09
Rot. Bonds5

About N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 58777757) has the molecular formula C18H20ClN5O3S and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
PubChem CID58777757
Molecular FormulaC18H20ClN5O3S
Molecular Weight421.91 g/mol
Exact Mass421.10
IUPAC NameN-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
SMILESNC1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cn2)C1
InChIInChI=1S/C18H20ClN5O3S/c19-15-3-2-14(28-15)17(25)22-8-13-10-24(18(26)27-13)12-1-4-16(21-7-12)23-6-5-11(20)9-23/h1-4,7,11,13H,5-6,8-10,20H2,(H,22,25)/t11?,13-/m0/s1
InChIKeyVKDLWAZJLCBNGK-YUZLPWPTSA-N
XLogP2.09
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 162333740
N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 58777695
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(1-hydroxypentylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 163566160
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
N-[[3-(4-amino-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 90654078
N-[[3-[4-[(carbamoylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 21070785
5-chloro-N-[[3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 66892669
5-chloro-N-[[3-[4-(1,3-dimethyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 74930689
5-chloro-N-[[3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 74930687
5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 53239532

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (CID 58777757) is N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is NC1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cn2)C1.
What is the InChIKey of N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is VKDLWAZJLCBNGK-YUZLPWPTSA-N. The full InChI is InChI=1S/C18H20ClN5O3S/c19-15-3-2-14(28-15)17(25)22-8-13-10-24(18(26)27-13)12-1-4-16(21-7-12)23-6-5-11(20)9-23/h1-4,7,11,13H,5-6,8-10,20H2,(H,22,25)/t11?,13-/m0/s1.
What are the key properties of N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?
N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 58777757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).