N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide

C19H20N6O3S — CID 163271841

IUPACN-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide
SMILESCCOc1cncc(-c2ncc(C(=O)NCc3cc(NSC4CC4)ccn3)o2)n1
InChIInChI=1S/C19H20N6O3S/c1-2-27-17-11-20-9-15(24-17)19-23-10-16(28-19)18(26)22-8-13-7-12(5-6-21-13)25-29-14-3-4-14/h5-7,9-11,14H,2-4,8H2,1H3,(H,21,25)(H,22,26)
InChIKeyQWROCIVDARDJDU-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.08
Rot. Bonds9

About N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide

N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide (PubChem CID 163271841) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide
PubChem CID163271841
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide
SMILESCCOc1cncc(-c2ncc(C(=O)NCc3cc(NSC4CC4)ccn3)o2)n1
InChIInChI=1S/C19H20N6O3S/c1-2-27-17-11-20-9-15(24-17)19-23-10-16(28-19)18(26)22-8-13-7-12(5-6-21-13)25-29-14-3-4-14/h5-7,9-11,14H,2-4,8H2,1H3,(H,21,25)(H,22,26)
InChIKeyQWROCIVDARDJDU-UHFFFAOYSA-N
XLogP3.08
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251274
N-cyclopropylsulfanyl-2-(methylaminomethyl)pyridin-4-amine;N,N-dimethylcyclobutanamine;5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
CID 163271905
N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide
CID 163271872
3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen
CID 163271973
N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271787
N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271764
N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163270971
N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 163271267
N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;3,4-dimethylmorpholine
CID 169251680
2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-4-methoxybutanamide
CID 155733971
2-[2-(cyclobutylsulfanylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139515540
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271317

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide (CID 163271841) is N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide is CCOc1cncc(-c2ncc(C(=O)NCc3cc(NSC4CC4)ccn3)o2)n1.
What is the InChIKey of N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is QWROCIVDARDJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-2-27-17-11-20-9-15(24-17)19-23-10-16(28-19)18(26)22-8-13-7-12(5-6-21-13)25-29-14-3-4-14/h5-7,9-11,14H,2-4,8H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide?
N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 163271841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).