2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane

C21H20ClN5O3S — CID 158314538

IUPAC2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane
SMILESC.[H]/N=C1\OCCN1c1ccc(NC(=O)c2cccnc2NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C20H16ClN5O3S.CH4/c21-16-8-7-15(30-16)19(28)25-17-14(2-1-9-23-17)18(27)24-12-3-5-13(6-4-12)26-10-11-29-20(26)22;/h1-9,22H,10-11H2,(H,24,27)(H,23,25,28);1H4/b22-20-;
InChIKeyGOCFTOLTZYEHMG-KGYDJYTLSA-N
MW457.94 g/mol
LogP4.71
Rot. Bonds5

About 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane

2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane (PubChem CID 158314538) has the molecular formula C21H20ClN5O3S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane
PubChem CID158314538
Molecular FormulaC21H20ClN5O3S
Molecular Weight457.94 g/mol
Exact Mass457.10
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane
SMILESC.[H]/N=C1\OCCN1c1ccc(NC(=O)c2cccnc2NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C20H16ClN5O3S.CH4/c21-16-8-7-15(30-16)19(28)25-17-14(2-1-9-23-17)18(27)24-12-3-5-13(6-4-12)26-10-11-29-20(26)22;/h1-9,22H,10-11H2,(H,24,27)(H,23,25,28);1H4/b22-20-;
InChIKeyGOCFTOLTZYEHMG-KGYDJYTLSA-N
XLogP4.71
TPSA107.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide
CID 89112353
4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid
CID 87546545
5-chloro-N-[4-(dimethylamino)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylphenyl]thiophene-2-carboxamide;methanesulfonic acid
CID 15983996
[N-(5-chlorothiophene-2-carbonyl)-2-[[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]carbamoyl]-5-methylanilino]methanesulfonic acid
CID 87710144
5-chloro-N-[1-hydroxy-2-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]isoindol-4-yl]thiophene-2-carboxamide
CID 90796954
ethane;2-N-(4-ethynylphenyl)-3-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide
CID 143235520
[N-[4-[(5-chlorothiophene-2-carbonyl)amino]pyridine-3-carbonyl]-4-(2-imino-1,3-oxazolidin-3-yl)anilino]methanesulfonic acid
CID 90938937
5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 60707242
5-chloro-N-[6-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]thiophene-2-carboxamide
CID 23654100
N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-cyanoamino]phenyl]-2-[(5-chlorothiophene-2-carbonyl)amino]pyridine-3-carboxamide
CID 86637740
3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane
CID 143235510
5-chloro-N-[5-hydroxy-6-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]-2-methylpyrrolo[3,4-d]pyrimidin-4-yl]thiophene-2-carboxamide
CID 137170287

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane (CID 158314538) is 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane is C.[H]/N=C1\OCCN1c1ccc(NC(=O)c2cccnc2NC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane?
The InChIKey is GOCFTOLTZYEHMG-KGYDJYTLSA-N. The full InChI is InChI=1S/C20H16ClN5O3S.CH4/c21-16-8-7-15(30-16)19(28)25-17-14(2-1-9-23-17)18(27)24-12-3-5-13(6-4-12)26-10-11-29-20(26)22;/h1-9,22H,10-11H2,(H,24,27)(H,23,25,28);1H4/b22-20-;.
What are the key properties of 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane?
2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane has a molecular weight of 457.94 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide;methane is sourced from PubChem (CID 158314538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).