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

C21H19N5O3S — CID 89112353

IUPACN-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide
SMILES[H]/N=C1\OCCN1c1ccc(NC(=O)c2cccnc2NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C21H19N5O3S/c1-13-4-9-17(30-13)20(28)25-18-16(3-2-10-23-18)19(27)24-14-5-7-15(8-6-14)26-11-12-29-21(26)22/h2-10,22H,11-12H2,1H3,(H,24,27)(H,23,25,28)/b22-21-
InChIKeyNHOADGVBHMGPAV-DQRAZIAOSA-N
MW421.48 g/mol
LogP3.73
Rot. Bonds5

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

N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide (PubChem CID 89112353) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide
PubChem CID89112353
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC NameN-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide
SMILES[H]/N=C1\OCCN1c1ccc(NC(=O)c2cccnc2NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C21H19N5O3S/c1-13-4-9-17(30-13)20(28)25-18-16(3-2-10-23-18)19(27)24-14-5-7-15(8-6-14)26-11-12-29-21(26)22/h2-10,22H,11-12H2,1H3,(H,24,27)(H,23,25,28)/b22-21-
InChIKeyNHOADGVBHMGPAV-DQRAZIAOSA-N
XLogP3.73
TPSA107.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide (CID 89112353) is N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide is [H]/N=C1\OCCN1c1ccc(NC(=O)c2cccnc2NC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide?
The InChIKey is NHOADGVBHMGPAV-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-13-4-9-17(30-13)20(28)25-18-16(3-2-10-23-18)19(27)24-14-5-7-15(8-6-14)26-11-12-29-21(26)22/h2-10,22H,11-12H2,1H3,(H,24,27)(H,23,25,28)/b22-21-.
What are the key properties of N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide?
N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 89112353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).